4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C10H18N4O2 — CID 62076723

IUPAC4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(O)CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C10H18N4O2/c1-5(2)8-7(11)9(14-13-8)10(16)12-4-6(3)15/h5-6,15H,4,11H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyMLOFKEOOGXQSRA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds4

About 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076723) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076723
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(O)CNC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C10H18N4O2/c1-5(2)8-7(11)9(14-13-8)10(16)12-4-6(3)15/h5-6,15H,4,11H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyMLOFKEOOGXQSRA-UHFFFAOYSA-N
XLogP0.23
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-N-(2-piperidin-1-ylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076238
4-amino-N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104758271
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63295942
4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106391325
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076723) is 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(O)CNC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MLOFKEOOGXQSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5(2)8-7(11)9(14-13-8)10(16)12-4-6(3)15/h5-6,15H,4,11H2,1-3H3,(H,12,16)(H,13,14).
What are the key properties of 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).