N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide

C13H22N4O — CID 74245889

IUPACN-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESNC1CCC(NC(=O)CCCc2cn[nH]c2)CC1
InChIInChI=1S/C13H22N4O/c14-11-4-6-12(7-5-11)17-13(18)3-1-2-10-8-15-16-9-10/h8-9,11-12H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyRAWNIPSNZASSTC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide

N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 74245889) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
PubChem CID74245889
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESNC1CCC(NC(=O)CCCc2cn[nH]c2)CC1
InChIInChI=1S/C13H22N4O/c14-11-4-6-12(7-5-11)17-13(18)3-1-2-10-8-15-16-9-10/h8-9,11-12H,1-7,14H2,(H,15,16)(H,17,18)
InChIKeyRAWNIPSNZASSTC-UHFFFAOYSA-N
XLogP1.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
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
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
(1S*,6R*)-9-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[4.2.1]nonane
CID 74243011
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
N-[1-(2,2-Dimethylpropyl)cyclopropyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206020

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide (CID 74245889) is N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide is NC1CCC(NC(=O)CCCc2cn[nH]c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is RAWNIPSNZASSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-11-4-6-12(7-5-11)17-13(18)3-1-2-10-8-15-16-9-10/h8-9,11-12H,1-7,14H2,(H,15,16)(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide?
N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 74245889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).