N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C16H19N3O3 — CID 128970509

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C16H19N3O3/c20-9-12-4-2-1-3-11(12)7-17-16(21)14-8-18-19-15(14)13-5-6-22-10-13/h1-4,8,13,20H,5-7,9-10H2,(H,17,21)(H,18,19)
InChIKeyROXJMDFBIQXKTH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 128970509) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID128970509
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C16H19N3O3/c20-9-12-4-2-1-3-11(12)7-17-16(21)14-8-18-19-15(14)13-5-6-22-10-13/h1-4,8,13,20H,5-7,9-10H2,(H,17,21)(H,18,19)
InChIKeyROXJMDFBIQXKTH-UHFFFAOYSA-N
XLogP1.34
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 136533769
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128968081
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 167981131
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
N-[(2R)-1-(4-methylphenyl)sulfanylpropan-2-yl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 125138417

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 128970509) is N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is O=C(NCc1ccccc1CO)c1cn[nH]c1C1CCOC1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is ROXJMDFBIQXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-9-12-4-2-1-3-11(12)7-17-16(21)14-8-18-19-15(14)13-5-6-22-10-13/h1-4,8,13,20H,5-7,9-10H2,(H,17,21)(H,18,19).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128970509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).