N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide

C18H21N3O3 — CID 119055434

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)NCCCn2nc(C)cc2C)oc2ccccc12
InChIInChI=1S/C18H21N3O3/c1-12-11-13(2)21(20-12)10-6-9-19-18(22)17-16(23-3)14-7-4-5-8-15(14)24-17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22)
InChIKeyZZUZQDBEUQRSMQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide (PubChem CID 119055434) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide
PubChem CID119055434
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1c(C(=O)NCCCn2nc(C)cc2C)oc2ccccc12
InChIInChI=1S/C18H21N3O3/c1-12-11-13(2)21(20-12)10-6-9-19-18(22)17-16(23-3)14-7-4-5-8-15(14)24-17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22)
InChIKeyZZUZQDBEUQRSMQ-UHFFFAOYSA-N
XLogP3.07
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 24607746
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]indole-3-carboxylate
CID 29219230
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide (CID 119055434) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide is COc1c(C(=O)NCCCn2nc(C)cc2C)oc2ccccc12.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZZUZQDBEUQRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-13(2)21(20-12)10-6-9-19-18(22)17-16(23-3)14-7-4-5-8-15(14)24-17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119055434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).