N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide

C18H30N4O — CID 56908193

IUPACN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@H]1CC[C@H]1NC1CCCCCC1
InChIInChI=1S/C18H30N4O/c23-18(9-5-6-14-12-19-20-13-14)22-17-11-10-16(17)21-15-7-3-1-2-4-8-15/h12-13,15-17,21H,1-11H2,(H,19,20)(H,22,23)/t16-,17+/m1/s1
InChIKeyWNDUNTIANDFOKH-SJORKVTESA-N
MW318.46 g/mol
LogP2.69
Rot. Bonds7

About N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 56908193) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID56908193
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@H]1CC[C@H]1NC1CCCCCC1
InChIInChI=1S/C18H30N4O/c23-18(9-5-6-14-12-19-20-13-14)22-17-11-10-16(17)21-15-7-3-1-2-4-8-15/h12-13,15-17,21H,1-11H2,(H,19,20)(H,22,23)/t16-,17+/m1/s1
InChIKeyWNDUNTIANDFOKH-SJORKVTESA-N
XLogP2.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
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
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
(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-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
rac-(1S,5R)-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 124212191

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide (CID 56908193) is N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide is O=C(CCCc1cn[nH]c1)N[C@H]1CC[C@H]1NC1CCCCCC1.
What is the InChIKey of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is WNDUNTIANDFOKH-SJORKVTESA-N. The full InChI is InChI=1S/C18H30N4O/c23-18(9-5-6-14-12-19-20-13-14)22-17-11-10-16(17)21-15-7-3-1-2-4-8-15/h12-13,15-17,21H,1-11H2,(H,19,20)(H,22,23)/t16-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 56908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).