3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

C14H17N3O2 — CID 60968015

IUPAC3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCOc1cccc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O2/c1-2-6-19-13-5-3-4-12(7-13)14(18)15-8-11-9-16-17-10-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyJRXLOZYQFOMXLW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds6

About 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 60968015) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID60968015
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCCOc1cccc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O2/c1-2-6-19-13-5-3-4-12(7-13)14(18)15-8-11-9-16-17-10-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyJRXLOZYQFOMXLW-UHFFFAOYSA-N
XLogP2.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982421
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60735987
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 60968015) is 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is CCCOc1cccc(C(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is JRXLOZYQFOMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-6-19-13-5-3-4-12(7-13)14(18)15-8-11-9-16-17-10-11/h3-5,7,9-10H,2,6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 60968015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).