4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

C8H14N4O2 — CID 94344980

IUPAC4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H](C)CO)c1N
InChIInChI=1S/C8H14N4O2/c1-4(3-13)10-8(14)7-6(9)5(2)11-12-7/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12)/t4-/m0/s1
InChIKeyVXRVESQMXTWZFO-BYPYZUCNSA-N
MW198.23 g/mol
LogP-0.59
Rot. Bonds3

About 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 94344980) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID94344980
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H](C)CO)c1N
InChIInChI=1S/C8H14N4O2/c1-4(3-13)10-8(14)7-6(9)5(2)11-12-7/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12)/t4-/m0/s1
InChIKeyVXRVESQMXTWZFO-BYPYZUCNSA-N
XLogP-0.59
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
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4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
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4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
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4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 94344980) is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@@H](C)CO)c1N.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is VXRVESQMXTWZFO-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(3-13)10-8(14)7-6(9)5(2)11-12-7/h4,13H,3,9H2,1-2H3,(H,10,14)(H,11,12)/t4-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94344980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).