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

C9H16N4O2 — CID 107210470

IUPAC4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](C)CO)c1N
InChIInChI=1S/C9H16N4O2/c1-3-6-7(10)8(13-12-6)9(15)11-5(2)4-14/h5,14H,3-4,10H2,1-2H3,(H,11,15)(H,12,13)/t5-/m0/s1
InChIKeyQNKNBUMYRQONDN-YFKPBYRVSA-N
MW212.25 g/mol
LogP-0.34
Rot. Bonds4

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

4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 107210470) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID107210470
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H](C)CO)c1N
InChIInChI=1S/C9H16N4O2/c1-3-6-7(10)8(13-12-6)9(15)11-5(2)4-14/h5,14H,3-4,10H2,1-2H3,(H,11,15)(H,12,13)/t5-/m0/s1
InChIKeyQNKNBUMYRQONDN-YFKPBYRVSA-N
XLogP-0.34
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide (CID 107210470) is 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@@H](C)CO)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QNKNBUMYRQONDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-6-7(10)8(13-12-6)9(15)11-5(2)4-14/h5,14H,3-4,10H2,1-2H3,(H,11,15)(H,12,13)/t5-/m0/s1.
What are the key properties of 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107210470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).