5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide

C11H18N4O — CID 64923439

IUPAC5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn[nH]c2N)C1C
InChIInChI=1S/C11H18N4O/c1-6-3-4-9(7(6)2)14-11(16)8-5-13-15-10(8)12/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H3,12,13,15)
InChIKeyIMVCKNDLJWXWOW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds2

About 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide (PubChem CID 64923439) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide
PubChem CID64923439
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn[nH]c2N)C1C
InChIInChI=1S/C11H18N4O/c1-6-3-4-9(7(6)2)14-11(16)8-5-13-15-10(8)12/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H3,12,13,15)
InChIKeyIMVCKNDLJWXWOW-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide (CID 64923439) is 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide is CC1CCC(NC(=O)c2cn[nH]c2N)C1C.
What is the InChIKey of 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IMVCKNDLJWXWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-3-4-9(7(6)2)14-11(16)8-5-13-15-10(8)12/h5-7,9H,3-4H2,1-2H3,(H,14,16)(H3,12,13,15).
What are the key properties of 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).