N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide

C20H27N5O3 — CID 132227944

IUPACN-[4-(3-aminopropanoylamino)cyclohexyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide
SMILESCC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3CCC(CC3)NC(=O)CCN
InChIInChI=1S/C20H27N5O3/c1-13-12-19(27)25(24-13)17-8-2-14(3-9-17)20(28)23-16-6-4-15(5-7-16)22-18(26)10-11-21/h2-3,8-9,15-16H,4-7,10-12,21H2,1H3,(H,22,26)(H,23,28)
InChIKeyNJGRFPUTPXEFHB-UHFFFAOYSA-N
MW385.50 g/mol
LogP0.70
Rot. Bonds6

About N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide

N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide (PubChem CID 132227944) has the molecular formula C20H27N5O3 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)cyclohexyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide
PubChem CID132227944
Molecular FormulaC20H27N5O3
Molecular Weight385.50 g/mol
Exact Mass385.21
IUPAC NameN-[4-(3-aminopropanoylamino)cyclohexyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide
SMILESCC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3CCC(CC3)NC(=O)CCN
InChIInChI=1S/C20H27N5O3/c1-13-12-19(27)25(24-13)17-8-2-14(3-9-17)20(28)23-16-6-4-15(5-7-16)22-18(26)10-11-21/h2-3,8-9,15-16H,4-7,10-12,21H2,1H3,(H,22,26)(H,23,28)
InChIKeyNJGRFPUTPXEFHB-UHFFFAOYSA-N
XLogP0.70
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity619

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide 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

3-(Benzoyl-hydrazono)-2-hydroxyimino-N-phenyl-butyramide
CID 135616984
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 316113
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
Antipyrine, 4-(p-aminobenzamido)-(6CI,7CI)
CID 212783
Acyl Hydrazone, 8
CID 6898921
N-(4-{[2-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)hydrazino]carbonyl}phenyl)-3-methylbenzamide
CID 9653017
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
3-[2-(4-Acetylphenyl)hydrazono]piperidin-2-one
CID 9580543
N'-[1-(4-aminophenyl)ethylidene]-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 9585520
N-(4-{[(2E)-2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hydrazino]carbonyl}phenyl)acetamide
CID 46501354
N'-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethyl]benzohydrazide
CID 135411765
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519

Frequently Asked Questions

What is the IUPAC name of N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide?
The IUPAC name of N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide (CID 132227944) is N-[4-(3-aminopropanoylamino)cyclohexyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide.
What is the SMILES notation for N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide?
The canonical SMILES for N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide is CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3CCC(CC3)NC(=O)CCN.
What is the InChIKey of N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide?
The InChIKey is NJGRFPUTPXEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13-12-19(27)25(24-13)17-8-2-14(3-9-17)20(28)23-16-6-4-15(5-7-16)22-18(26)10-11-21/h2-3,8-9,15-16H,4-7,10-12,21H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide?
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide has a molecular weight of 385.50 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzamide is sourced from PubChem (CID 132227944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).