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

C14H18N4O2 — CID 107699370

IUPAC4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)12-11(15)13(18-17-12)14(20)16-9-5-4-8(3)10(19)6-9/h4-7,19H,15H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyJNHPGIUJCMBOGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds3

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

4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 107699370) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID107699370
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1O
InChIInChI=1S/C14H18N4O2/c1-7(2)12-11(15)13(18-17-12)14(20)16-9-5-4-8(3)10(19)6-9/h4-7,19H,15H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyJNHPGIUJCMBOGL-UHFFFAOYSA-N
XLogP2.38
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104775377
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4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-N-(5-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-N-(4-bromo-2,6-difluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 65468469
4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583156
4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
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4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 115375786
N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64792716
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 107699370) is 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1O.
What is the InChIKey of 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JNHPGIUJCMBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-7(2)12-11(15)13(18-17-12)14(20)16-9-5-4-8(3)10(19)6-9/h4-7,19H,15H2,1-3H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107699370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).