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

C19H32N4O — CID 56915871

IUPACN-[(1S,2R)-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+/m1/s1
InChIKeyYKIQSENLJUNKLM-MSOLQXFVSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds6

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

N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 56915871) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID56915871
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[(1S,2R)-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+/m1/s1
InChIKeyYKIQSENLJUNKLM-MSOLQXFVSA-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 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
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1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
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1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
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N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
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1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
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1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
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N-[2-(dimethylamino)ethyl]-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 56915871) is N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-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-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is YKIQSENLJUNKLM-MSOLQXFVSA-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+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[(1S,2R)-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-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 56915871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).