(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene

C22H38N6 — CID 169170308

IUPAC(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
SMILESC/C=C\C(=N/C(=C/CCC)N(C)CCCNC)Nc1cc(C2CC2)[nH]n1.C=C
InChIInChI=1S/C20H34N6.C2H4/c1-5-7-10-20(26(4)14-8-13-21-3)23-18(9-6-2)22-19-15-17(24-25-19)16-11-12-16;1-2/h6,9-10,15-16,21H,5,7-8,11-14H2,1-4H3,(H2,22,23,24,25);1-2H2/b9-6-,20-10-;
InChIKeySDJNUABNHUYOIE-CTNASQEGSA-N
MW386.59 g/mol
LogP4.66
Rot. Bonds11

About (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene (PubChem CID 169170308) has the molecular formula C22H38N6 and a molecular weight of 386.59 g/mol. Its IUPAC name is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene.

Molecular Properties

Compound Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
PubChem CID169170308
Molecular FormulaC22H38N6
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
SMILESC/C=C\C(=N/C(=C/CCC)N(C)CCCNC)Nc1cc(C2CC2)[nH]n1.C=C
InChIInChI=1S/C20H34N6.C2H4/c1-5-7-10-20(26(4)14-8-13-21-3)23-18(9-6-2)22-19-15-17(24-25-19)16-11-12-16;1-2/h6,9-10,15-16,21H,5,7-8,11-14H2,1-4H3,(H2,22,23,24,25);1-2H2/b9-6-,20-10-;
InChIKeySDJNUABNHUYOIE-CTNASQEGSA-N
XLogP4.66
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-[(E)-1-[3-aminopropyl(methyl)amino]pent-1-enyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide;ethene
CID 169170223
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
CID 169170079
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide
CID 174102989
(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 169160053
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
CID 22176967
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 59758093
(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
CID 169245362
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
tert-butyl N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]propyl]carbamate;ethene
CID 169170123
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
(E)-N-[4-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxoprop-1-en-2-yl]phenyl]-4-(dimethylamino)but-2-enamide
CID 167119488

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene?
The IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene (CID 169170308) is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene.
What is the SMILES notation for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene?
The canonical SMILES for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene is C/C=C\C(=N/C(=C/CCC)N(C)CCCNC)Nc1cc(C2CC2)[nH]n1.C=C.
What is the InChIKey of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene?
The InChIKey is SDJNUABNHUYOIE-CTNASQEGSA-N. The full InChI is InChI=1S/C20H34N6.C2H4/c1-5-7-10-20(26(4)14-8-13-21-3)23-18(9-6-2)22-19-15-17(24-25-19)16-11-12-16;1-2/h6,9-10,15-16,21H,5,7-8,11-14H2,1-4H3,(H2,22,23,24,25);1-2H2/b9-6-,20-10-;.
What are the key properties of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene?
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene has a molecular weight of 386.59 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene is sourced from PubChem (CID 169170308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).