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

C9H16N4O — CID 61168270

IUPAC5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)5-11-8(14)6-4-12-13-7(6)10/h4H,5H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyCIZDIGXVVYZNIX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.77
Rot. Bonds2

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

5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 61168270) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID61168270
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)5-11-8(14)6-4-12-13-7(6)10/h4H,5H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyCIZDIGXVVYZNIX-UHFFFAOYSA-N
XLogP0.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110484096
5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
CID 123588221
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CID 79351042
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
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5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 43159436
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
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5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
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5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide (CID 61168270) is 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide is CC(C)(C)CNC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CIZDIGXVVYZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)5-11-8(14)6-4-12-13-7(6)10/h4H,5H2,1-3H3,(H,11,14)(H3,10,12,13).
What are the key properties of 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61168270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).