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

C16H15N3O2S — CID 110908872

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H15N3O2S/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyZYDSRYDSVHJUHB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.56
Rot. Bonds5

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

N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 110908872) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID110908872
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H15N3O2S/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyZYDSRYDSVHJUHB-UHFFFAOYSA-N
XLogP2.56
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 110908872) is N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1ccccc1CO)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZYDSRYDSVHJUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.56, 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-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).