N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide

C14H17N3O2 — CID 112691324

IUPACN-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C14H17N3O2/c1-3-7-19-12-6-4-5-11(8-12)14(18)16-13-10(2)9-15-17-13/h4-6,8-9H,3,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyDRSKKNAREWZZFP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.76
Rot. Bonds5

About N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide

N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide (PubChem CID 112691324) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
PubChem CID112691324
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C14H17N3O2/c1-3-7-19-12-6-4-5-11(8-12)14(18)16-13-10(2)9-15-17-13/h4-6,8-9H,3,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyDRSKKNAREWZZFP-UHFFFAOYSA-N
XLogP2.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide
CID 107595713
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide (CID 112691324) is N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2[nH]ncc2C)c1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide?
The InChIKey is DRSKKNAREWZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-19-12-6-4-5-11(8-12)14(18)16-13-10(2)9-15-17-13/h4-6,8-9H,3,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide?
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide has a molecular weight of 259.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide is sourced from PubChem (CID 112691324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).