N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide

C14H22N4O2 — CID 138021907

IUPACN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide
SMILESCC(Cn1cccn1)(NC(=O)C1CCCCC1)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-14(13(15)20,10-18-9-5-8-16-18)17-12(19)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,15,20)(H,17,19)
InChIKeyHQXBFMUUGHFDNB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.82
Rot. Bonds5

About N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide

N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide (PubChem CID 138021907) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide
PubChem CID138021907
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide
SMILESCC(Cn1cccn1)(NC(=O)C1CCCCC1)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-14(13(15)20,10-18-9-5-8-16-18)17-12(19)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,15,20)(H,17,19)
InChIKeyHQXBFMUUGHFDNB-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide
CID 136567512
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069077
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
CID 123758150
2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide
CID 167888685
N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
CID 131941436
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide (CID 138021907) is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide is CC(Cn1cccn1)(NC(=O)C1CCCCC1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide?
The InChIKey is HQXBFMUUGHFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(13(15)20,10-18-9-5-8-16-18)17-12(19)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H2,15,20)(H,17,19).
What are the key properties of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide?
N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 138021907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).