N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C19H32N4O — CID 133123132

IUPACN-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2CC[C@@H]2NC2CCCCC2)c(C)c1C
InChIInChI=1S/C19H32N4O/c1-13-14(2)22-23(15(13)3)12-11-19(24)21-18-10-9-17(18)20-16-7-5-4-6-8-16/h16-18,20H,4-12H2,1-3H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyYKIQSENLJUNKLM-ZWKOTPCHSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds6

About N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 133123132) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID133123132
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2CC[C@@H]2NC2CCCCC2)c(C)c1C
InChIInChI=1S/C19H32N4O/c1-13-14(2)22-23(15(13)3)12-11-19(24)21-18-10-9-17(18)20-16-7-5-4-6-8-16/h16-18,20H,4-12H2,1-3H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyYKIQSENLJUNKLM-ZWKOTPCHSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138382007
N-[(3R)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
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3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
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CID 133267455
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N-[(1S,6R,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596472
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3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
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N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
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N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 133123132) is N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)N[C@@H]2CC[C@@H]2NC2CCCCC2)c(C)c1C.
What is the InChIKey of N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is YKIQSENLJUNKLM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H32N4O/c1-13-14(2)22-23(15(13)3)12-11-19(24)21-18-10-9-17(18)20-16-7-5-4-6-8-16/h16-18,20H,4-12H2,1-3H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 332.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 133123132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).