(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide

C10H13F2N3O — CID 164637617

IUPAC(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCC(F)(F)C2)cn1
InChIInChI=1S/C10H13F2N3O/c1-15-6-8(5-13-15)14-9(16)7-2-3-10(11,12)4-7/h5-7H,2-4H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyHXNQBKDPKUKZNZ-ZETCQYMHSA-N
MW229.23 g/mol
LogP1.79
Rot. Bonds2

About (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide

(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide (PubChem CID 164637617) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
PubChem CID164637617
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCC(F)(F)C2)cn1
InChIInChI=1S/C10H13F2N3O/c1-15-6-8(5-13-15)14-9(16)7-2-3-10(11,12)4-7/h5-7H,2-4H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyHXNQBKDPKUKZNZ-ZETCQYMHSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide (CID 164637617) is (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide is Cn1cc(NC(=O)[C@H]2CCC(F)(F)C2)cn1.
What is the InChIKey of (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide?
The InChIKey is HXNQBKDPKUKZNZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-15-6-8(5-13-15)14-9(16)7-2-3-10(11,12)4-7/h5-7H,2-4H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide?
(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 164637617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).