N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide

C11H16FN3O — CID 164636640

IUPACN-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C11H16FN3O/c1-7-8(6-13-15-7)11(16)14-10-5-3-2-4-9(10)12/h6,9-10H,2-5H2,1H3,(H,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyQSSTVUJFQMEIGN-UWVGGRQHSA-N
MW225.27 g/mol
LogP1.73
Rot. Bonds2

About N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 164636640) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID164636640
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C11H16FN3O/c1-7-8(6-13-15-7)11(16)14-10-5-3-2-4-9(10)12/h6,9-10H,2-5H2,1H3,(H,13,15)(H,14,16)/t9-,10-/m0/s1
InChIKeyQSSTVUJFQMEIGN-UWVGGRQHSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 164636640) is N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@H]1CCCC[C@@H]1F.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is QSSTVUJFQMEIGN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-8(6-13-15-7)11(16)14-10-5-3-2-4-9(10)12/h6,9-10H,2-5H2,1H3,(H,13,15)(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164636640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).