N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide

C11H16FN3O — CID 154760494

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCCC[C@H]2F)cn1
InChIInChI=1S/C11H16FN3O/c1-15-7-8(6-13-15)11(16)14-10-5-3-2-4-9(10)12/h6-7,9-10H,2-5H2,1H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyQPSCEXAFSXUXKJ-NXEZZACHSA-N
MW225.27 g/mol
LogP1.43
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide (PubChem CID 154760494) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide
PubChem CID154760494
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCCC[C@H]2F)cn1
InChIInChI=1S/C11H16FN3O/c1-15-7-8(6-13-15)11(16)14-10-5-3-2-4-9(10)12/h6-7,9-10H,2-5H2,1H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyQPSCEXAFSXUXKJ-NXEZZACHSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide (CID 154760494) is N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2F)cn1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is QPSCEXAFSXUXKJ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15-7-8(6-13-15)11(16)14-10-5-3-2-4-9(10)12/h6-7,9-10H,2-5H2,1H3,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154760494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).