(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide

C17H25ClN4 — CID 169160053

IUPAC(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/C=C\C(=N/c1cc(C2CCCC2)[nH]n1)N/C(Cl)=C/CCC
InChIInChI=1S/C17H25ClN4/c1-3-5-11-15(18)19-16(8-4-2)20-17-12-14(21-22-17)13-9-6-7-10-13/h4,8,11-13H,3,5-7,9-10H2,1-2H3,(H2,19,20,21,22)/b8-4-,15-11+
InChIKeyOCVJUAIOCMCYLB-MFRBPULPSA-N
MW320.87 g/mol
LogP5.14
Rot. Bonds6

About (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide

(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide (PubChem CID 169160053) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
PubChem CID169160053
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/C=C\C(=N/c1cc(C2CCCC2)[nH]n1)N/C(Cl)=C/CCC
InChIInChI=1S/C17H25ClN4/c1-3-5-11-15(18)19-16(8-4-2)20-17-12-14(21-22-17)13-9-6-7-10-13/h4,8,11-13H,3,5-7,9-10H2,1-2H3,(H2,19,20,21,22)/b8-4-,15-11+
InChIKeyOCVJUAIOCMCYLB-MFRBPULPSA-N
XLogP5.14
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide
CID 169170357
(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)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
CID 169170079
3-cyclopropyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123150480
(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
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-ethyl-1,4-dihydroazepin-7-imine
CID 137119569
N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide
CID 123571494
(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
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide?
The IUPAC name of (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide (CID 169160053) is (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide.
What is the SMILES notation for (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide?
The canonical SMILES for (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide is C/C=C\C(=N/c1cc(C2CCCC2)[nH]n1)N/C(Cl)=C/CCC.
What is the InChIKey of (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide?
The InChIKey is OCVJUAIOCMCYLB-MFRBPULPSA-N. The full InChI is InChI=1S/C17H25ClN4/c1-3-5-11-15(18)19-16(8-4-2)20-17-12-14(21-22-17)13-9-6-7-10-13/h4,8,11-13H,3,5-7,9-10H2,1-2H3,(H2,19,20,21,22)/b8-4-,15-11+.
What are the key properties of (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide?
(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide has a molecular weight of 320.87 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide is sourced from PubChem (CID 169160053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).