N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C20H21N3O3 — CID 95218567

IUPACN-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-18(14-8-10-16(24)11-9-14)21-20(25)19-12-15(22-23-19)13-26-17-6-4-3-5-7-17/h3-12,18,24H,2,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1
InChIKeyLPBDEPPEODFJBN-SFHVURJKSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds7

About N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 95218567) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID95218567
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccc(O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-18(14-8-10-16(24)11-9-14)21-20(25)19-12-15(22-23-19)13-26-17-6-4-3-5-7-17/h3-12,18,24H,2,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1
InChIKeyLPBDEPPEODFJBN-SFHVURJKSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95197106
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 56745437
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 55746406

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 95218567) is N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CC[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccc(O)cc1.
What is the InChIKey of N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LPBDEPPEODFJBN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-18(14-8-10-16(24)11-9-14)21-20(25)19-12-15(22-23-19)13-26-17-6-4-3-5-7-17/h3-12,18,24H,2,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95218567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).