5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide

C20H28N4O — CID 97132923

IUPAC5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)c2cn[nH]c2C2CCCCC2)c1
InChIInChI=1S/C20H28N4O/c1-14-9-10-21-17(11-14)12-15(2)24(3)20(25)18-13-22-23-19(18)16-7-5-4-6-8-16/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyRGRSTNHIRIVOLM-HNNXBMFYSA-N
MW340.47 g/mol
LogP3.86
Rot. Bonds5

About 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 97132923) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID97132923
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccnc(C[C@H](C)N(C)C(=O)c2cn[nH]c2C2CCCCC2)c1
InChIInChI=1S/C20H28N4O/c1-14-9-10-21-17(11-14)12-15(2)24(3)20(25)18-13-22-23-19(18)16-7-5-4-6-8-16/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyRGRSTNHIRIVOLM-HNNXBMFYSA-N
XLogP3.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 97132923) is 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide is Cc1ccnc(C[C@H](C)N(C)C(=O)c2cn[nH]c2C2CCCCC2)c1.
What is the InChIKey of 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RGRSTNHIRIVOLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-9-10-21-17(11-14)12-15(2)24(3)20(25)18-13-22-23-19(18)16-7-5-4-6-8-16/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-methyl-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).