(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide

C21H31N5 — CID 169170079

IUPAC(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-
InChIKeyABRZBZDXJOFLAD-NDUAUQOWSA-N
MW353.51 g/mol
LogP4.66
Rot. Bonds7

About (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide (PubChem CID 169170079) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
PubChem CID169170079
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-
InChIKeyABRZBZDXJOFLAD-NDUAUQOWSA-N
XLogP4.66
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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'-[(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-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
CID 169170308
(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-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
CID 22176967
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 22177019
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
CID 139572066
(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 169160053
1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
CID 155949004
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide (CID 169170079) is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide is C/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The InChIKey is ABRZBZDXJOFLAD-NDUAUQOWSA-N. The full InChI is InChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-.
What are the key properties of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide has a molecular weight of 353.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide is sourced from PubChem (CID 169170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).