N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide

C14H15N3O2 — CID 5330975

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-11-6-4-10(5-7-11)14(18)15-13-8-12(16-17-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyGNKBIOXXCOOUOE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide (PubChem CID 5330975) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide
PubChem CID5330975
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-11-6-4-10(5-7-11)14(18)15-13-8-12(16-17-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyGNKBIOXXCOOUOE-UHFFFAOYSA-N
XLogP2.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide (CID 5330975) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide?
The InChIKey is GNKBIOXXCOOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-6-4-10(5-7-11)14(18)15-13-8-12(16-17-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 5330975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).