N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide

C15H24N4O3 — CID 131930494

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCOCc1cc(CNC(=O)CCN2CCCCCC2=O)[nH]n1
InChIInChI=1S/C15H24N4O3/c1-22-11-13-9-12(17-18-13)10-16-14(20)6-8-19-7-4-2-3-5-15(19)21/h9H,2-8,10-11H2,1H3,(H,16,20)(H,17,18)
InChIKeyDKGNYMLSFAOLHU-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds7

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131930494) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131930494
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCOCc1cc(CNC(=O)CCN2CCCCCC2=O)[nH]n1
InChIInChI=1S/C15H24N4O3/c1-22-11-13-9-12(17-18-13)10-16-14(20)6-8-19-7-4-2-3-5-15(19)21/h9H,2-8,10-11H2,1H3,(H,16,20)(H,17,18)
InChIKeyDKGNYMLSFAOLHU-UHFFFAOYSA-N
XLogP0.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 91834521
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 56911291
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131911007
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 118777088
(1S)-7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126445002
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773460
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 131930494) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide is COCc1cc(CNC(=O)CCN2CCCCCC2=O)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is DKGNYMLSFAOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-22-11-13-9-12(17-18-13)10-16-14(20)6-8-19-7-4-2-3-5-15(19)21/h9H,2-8,10-11H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131930494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).