3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide

C16H17N5O — CID 89470889

IUPAC3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide
SMILESN#C[C@H]1CCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C16H17N5O/c17-9-11-5-4-8-14(11)21-10-13(15(18)22)16(20-21)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8H2,(H2,18,22)(H,19,20)/t11-,14+/m1/s1
InChIKeyQMBHRWPFACKJPC-RISCZKNCSA-N
MW295.35 g/mol
LogP2.59
Rot. Bonds4

About 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide

3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide (PubChem CID 89470889) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide
PubChem CID89470889
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide
SMILESN#C[C@H]1CCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C16H17N5O/c17-9-11-5-4-8-14(11)21-10-13(15(18)22)16(20-21)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8H2,(H2,18,22)(H,19,20)/t11-,14+/m1/s1
InChIKeyQMBHRWPFACKJPC-RISCZKNCSA-N
XLogP2.59
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide?
The IUPAC name of 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide (CID 89470889) is 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide is N#C[C@H]1CCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide?
The InChIKey is QMBHRWPFACKJPC-RISCZKNCSA-N. The full InChI is InChI=1S/C16H17N5O/c17-9-11-5-4-8-14(11)21-10-13(15(18)22)16(20-21)19-12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8H2,(H2,18,22)(H,19,20)/t11-,14+/m1/s1.
What are the key properties of 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide?
3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[(1S,2S)-2-cyanocyclopentyl]pyrazole-4-carboxamide is sourced from PubChem (CID 89470889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).