N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide

C13H21N3O — CID 51727993

IUPACN-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-11(10-16-9-5-8-14-16)15-13(17)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyYURBRBPDHCEPCI-NSHDSACASA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds4

About N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 51727993) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID51727993
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-11(10-16-9-5-8-14-16)15-13(17)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyYURBRBPDHCEPCI-NSHDSACASA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16187737
N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
1-(cyclohexylmethyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24794076
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
1-(cyclohexylmethyl)-6-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 45221731
N-(1-cyanocyclohexyl)-2-{[1-(1H-pyrazol-1-yl)propan-2-yl]amino}acetamide
CID 53558741
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
N-(1-cyanocyclohexyl)-2-{[2-(1H-pyrazol-1-yl)ethyl]amino}acetamide
CID 72140751

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide (CID 51727993) is N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide is C[C@@H](Cn1cccn1)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is YURBRBPDHCEPCI-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(10-16-9-5-8-14-16)15-13(17)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 51727993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).