N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide

C14H23N3O — CID 94813213

IUPACN,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C
InChIInChI=1S/C14H23N3O/c1-10-7-5-6-8-13(10)16(3)14(18)12-9-15-17(4)11(12)2/h9-10,13H,5-8H2,1-4H3/t10-,13+/m0/s1
InChIKeyBWOJCSAHYVCLNS-GXFFZTMASA-N
MW249.36 g/mol
LogP2.38
Rot. Bonds2

About N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide

N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide (PubChem CID 94813213) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
PubChem CID94813213
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C
InChIInChI=1S/C14H23N3O/c1-10-7-5-6-8-13(10)16(3)14(18)12-9-15-17(4)11(12)2/h9-10,13H,5-8H2,1-4H3/t10-,13+/m0/s1
InChIKeyBWOJCSAHYVCLNS-GXFFZTMASA-N
XLogP2.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide (CID 94813213) is N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C.
What is the InChIKey of N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide?
The InChIKey is BWOJCSAHYVCLNS-GXFFZTMASA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-5-6-8-13(10)16(3)14(18)12-9-15-17(4)11(12)2/h9-10,13H,5-8H2,1-4H3/t10-,13+/m0/s1.
What are the key properties of N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide?
N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94813213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).