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

CID 51078639
CID 51078639
CID 16187737
CID 16187737
CID 1246452
CID 1246452
CID 24794076
CID 24794076
CID 19294730
CID 19294730
CID 19575432
CID 19575432
CID 35520943
CID 35520943
CID 37393188
CID 37393188
CID 45221731
CID 45221731
CID 53558741
CID 53558741
CID 56882763
CID 56882763
CID 72140751
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).