N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C14H23N3O — CID 122562960

IUPACN-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCCC1(CNC(=O)CCc2cn[nH]c2)CCC1
InChIInChI=1S/C14H23N3O/c1-2-6-14(7-3-8-14)11-15-13(18)5-4-12-9-16-17-10-12/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17)
InChIKeyKMIURSTXCBYDJX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.43
Rot. Bonds7

About N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 122562960) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID122562960
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCCC1(CNC(=O)CCc2cn[nH]c2)CCC1
InChIInChI=1S/C14H23N3O/c1-2-6-14(7-3-8-14)11-15-13(18)5-4-12-9-16-17-10-12/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17)
InChIKeyKMIURSTXCBYDJX-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
N-[1-(2,2-Dimethylpropyl)cyclopropyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206020
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
2-[3-(1H-pyrazol-4-yl)propanoyl]-2-azaspiro[4.6]undecane
CID 124219308
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
1-[(4S)-4-tert-butylazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 125525311
7-(Cyclobutylmethyl)-2-[3-(1H-pyrazol-4-YL)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205270
N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56739445

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 122562960) is N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide is CCCC1(CNC(=O)CCc2cn[nH]c2)CCC1.
What is the InChIKey of N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is KMIURSTXCBYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-6-14(7-3-8-14)11-15-13(18)5-4-12-9-16-17-10-12/h9-10H,2-8,11H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclobutyl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 122562960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).