N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C20H21N3O3 — CID 91823512

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(CO)Cc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-17-9-7-15(8-10-17)18-12-19(23-22-18)20(25)21-16(13-24)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyNONXXDXHANLVKE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 91823512) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID91823512
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(CO)Cc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-17-9-7-15(8-10-17)18-12-19(23-22-18)20(25)21-16(13-24)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyNONXXDXHANLVKE-UHFFFAOYSA-N
XLogP2.42
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
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N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
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(2S)-2-[[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]amino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 91823512) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(CO)Cc3ccccc3)[nH]n2)cc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NONXXDXHANLVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-17-9-7-15(8-10-17)18-12-19(23-22-18)20(25)21-16(13-24)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91823512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).