N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide

C24H32N6O3 — CID 166850695

IUPACN-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
SMILESCCC(C(N)=O)/C(=C\N(C)N)NC(=O)C1CCCCC1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H32N6O3/c1-3-17(23(25)32)21(14-30(2)26)28-24(33)19-7-5-4-6-18(19)22(31)16-10-8-15(9-11-16)20-12-13-27-29-20/h8-14,17-19H,3-7,26H2,1-2H3,(H2,25,32)(H,27,29)(H,28,33)/b21-14+
InChIKeyJDYHAFQRSMHTDO-KGENOOAVSA-N
MW452.56 g/mol
LogP2.34
Rot. Bonds9

About N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide

N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide (PubChem CID 166850695) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
PubChem CID166850695
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC NameN-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
SMILESCCC(C(N)=O)/C(=C\N(C)N)NC(=O)C1CCCCC1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C24H32N6O3/c1-3-17(23(25)32)21(14-30(2)26)28-24(33)19-7-5-4-6-18(19)22(31)16-10-8-15(9-11-16)20-12-13-27-29-20/h8-14,17-19H,3-7,26H2,1-2H3,(H2,25,32)(H,27,29)(H,28,33)/b21-14+
InChIKeyJDYHAFQRSMHTDO-KGENOOAVSA-N
XLogP2.34
TPSA147.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide 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

trans-(1R,2R)-N-(2-methyl-2-methylsulfonylpropyl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 155567408
1,2-dimethyl-4-[[(1R,2R)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexanecarbonyl]amino]-3H-pyrazole-3-carboxamide
CID 135305930
1-methyl-4-[[2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
CID 122678096
trans-(1R,2R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 155535638
(2S)-N-(5-cyano-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 122678152
trans-(1S,2S)-N-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 135305965
trans-(1R,2R)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 122678190
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
CID 56901719
4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 56703692
N-(5-cyclopropyl-1-methyltriazol-4-yl)-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 139539403
(1S,5R)-6-propyl-3-[4-(1H-pyrazol-5-yl)benzoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 74237540
1-ethyl-2-[[4-(1H-pyrazol-5-yl)phenyl]methyl]guanidine
CID 62362229

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide (CID 166850695) is N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide is CCC(C(N)=O)/C(=C\N(C)N)NC(=O)C1CCCCC1C(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide?
The InChIKey is JDYHAFQRSMHTDO-KGENOOAVSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-3-17(23(25)32)21(14-30(2)26)28-24(33)19-7-5-4-6-18(19)22(31)16-10-8-15(9-11-16)20-12-13-27-29-20/h8-14,17-19H,3-7,26H2,1-2H3,(H2,25,32)(H,27,29)(H,28,33)/b21-14+.
What are the key properties of N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide?
N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.34, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[amino(methyl)amino]-3-carbamoylpent-1-en-2-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166850695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).