(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide

C21H29ClN4O — CID 169245362

IUPAC(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
SMILESC/C=C(\N=C(\C=C/C(Cl)=C\C)CC)C(CC)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H29ClN4O/c1-5-15(22)11-12-16(6-2)23-18(8-4)17(7-3)21(27)24-20-13-19(25-26-20)14-9-10-14/h5,8,11-14,17H,6-7,9-10H2,1-4H3,(H2,24,25,26,27)/b12-11-,15-5+,18-8-,23-16+
InChIKeyIDVXJYIHLPMYIK-PJEFUKFBSA-N
MW388.94 g/mol
LogP5.71
Rot. Bonds9

About (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide

(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide (PubChem CID 169245362) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide.

Molecular Properties

Compound Name(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
PubChem CID169245362
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
SMILESC/C=C(\N=C(\C=C/C(Cl)=C\C)CC)C(CC)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H29ClN4O/c1-5-15(22)11-12-16(6-2)23-18(8-4)17(7-3)21(27)24-20-13-19(25-26-20)14-9-10-14/h5,8,11-14,17H,6-7,9-10H2,1-4H3,(H2,24,25,26,27)/b12-11-,15-5+,18-8-,23-16+
InChIKeyIDVXJYIHLPMYIK-PJEFUKFBSA-N
XLogP5.71
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129
(Z)-3-[[(5E,7E)-7-chloro-5-(trifluoromethoxy)nona-5,7-dien-4-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pent-3-enamide
CID 169245335
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119794268
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 169245290
(Z)-4-amino-3-[(3-chlorophenyl)iminomethyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylbut-3-enamide
CID 176713770
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
CID 139558774
(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
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
CID 22176967
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide?
The IUPAC name of (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) is (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide.
What is the SMILES notation for (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide?
The canonical SMILES for (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide is C/C=C(\N=C(\C=C/C(Cl)=C\C)CC)C(CC)C(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide?
The InChIKey is IDVXJYIHLPMYIK-PJEFUKFBSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-5-15(22)11-12-16(6-2)23-18(8-4)17(7-3)21(27)24-20-13-19(25-26-20)14-9-10-14/h5,8,11-14,17H,6-7,9-10H2,1-4H3,(H2,24,25,26,27)/b12-11-,15-5+,18-8-,23-16+.
What are the key properties of (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide?
(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide has a molecular weight of 388.94 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide is sourced from PubChem (CID 169245362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).