N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide

C9H16N4O — CID 83617586

IUPACN-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)NC(C)(C)CN
InChIInChI=1S/C9H16N4O/c1-6-4-11-13-7(6)8(14)12-9(2,3)5-10/h4H,5,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyQZNLIONLZRTMNU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 83617586) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID83617586
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)NC(C)(C)CN
InChIInChI=1S/C9H16N4O/c1-6-4-11-13-7(6)8(14)12-9(2,3)5-10/h4H,5,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyQZNLIONLZRTMNU-UHFFFAOYSA-N
XLogP0.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide (CID 83617586) is N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)NC(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is QZNLIONLZRTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-11-13-7(6)8(14)12-9(2,3)5-10/h4H,5,10H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 83617586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).