N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide

C11H18N4O — CID 81486871

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-7-5-9(15-14-7)10(16)13-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWUHGESQSJWBAPR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 81486871) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID81486871
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-7-5-9(15-14-7)10(16)13-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWUHGESQSJWBAPR-UHFFFAOYSA-N
XLogP0.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
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-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 81486871) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(CN)C2CC2)n[nH]1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is WUHGESQSJWBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-5-9(15-14-7)10(16)13-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 81486871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).