N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide

C17H28N4O3 — CID 46989113

IUPACN'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
SMILESCOCc1cc(CNC(=O)CCC(=O)NC2CCCCCC2)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-24-12-15-10-14(20-21-15)11-18-16(22)8-9-17(23)19-13-6-4-2-3-5-7-13/h10,13H,2-9,11-12H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyRQZHFCGEUGAENP-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.79
Rot. Bonds8

About N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide

N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide (PubChem CID 46989113) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
PubChem CID46989113
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
SMILESCOCc1cc(CNC(=O)CCC(=O)NC2CCCCCC2)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-24-12-15-10-14(20-21-15)11-18-16(22)8-9-17(23)19-13-6-4-2-3-5-7-13/h10,13H,2-9,11-12H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyRQZHFCGEUGAENP-UHFFFAOYSA-N
XLogP1.79
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide 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

(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
CID 125166525
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
CID 118764069
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-[(1S,2S,4S)-2-hydroxy-4-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoyl]cyclopentyl]-1,3-thiazole-4-carboxamide
CID 155909898
N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide
CID 75432991
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide?
The IUPAC name of N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide (CID 46989113) is N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide.
What is the SMILES notation for N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide?
The canonical SMILES for N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide is COCc1cc(CNC(=O)CCC(=O)NC2CCCCCC2)[nH]n1.
What is the InChIKey of N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide?
The InChIKey is RQZHFCGEUGAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-24-12-15-10-14(20-21-15)11-18-16(22)8-9-17(23)19-13-6-4-2-3-5-7-13/h10,13H,2-9,11-12H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide?
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide has a molecular weight of 336.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide is sourced from PubChem (CID 46989113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).