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

C7H12N4O2 — CID 107210477

IUPAC4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H12N4O2/c1-4(3-12)10-7(13)6-5(8)2-9-11-6/h2,4,12H,3,8H2,1H3,(H,9,11)(H,10,13)/t4-/m0/s1
InChIKeyBAQSAXGFQPPEPP-BYPYZUCNSA-N
MW184.20 g/mol
LogP-0.90
Rot. Bonds3

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

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 107210477) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID107210477
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H12N4O2/c1-4(3-12)10-7(13)6-5(8)2-9-11-6/h2,4,12H,3,8H2,1H3,(H,9,11)(H,10,13)/t4-/m0/s1
InChIKeyBAQSAXGFQPPEPP-BYPYZUCNSA-N
XLogP-0.90
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide (CID 107210477) is 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide is C[C@@H](CO)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BAQSAXGFQPPEPP-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(3-12)10-7(13)6-5(8)2-9-11-6/h2,4,12H,3,8H2,1H3,(H,9,11)(H,10,13)/t4-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide?
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.90, 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]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107210477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).