N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C15H17N3O2 — CID 46705128

IUPACN-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-18-13(15(19)16-10-7-8-10)9-12(17-18)11-5-3-4-6-14(11)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyMQWCOTXRHOFSFM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds4

About N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46705128) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID46705128
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C15H17N3O2/c1-18-13(15(19)16-10-7-8-10)9-12(17-18)11-5-3-4-6-14(11)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)
InChIKeyMQWCOTXRHOFSFM-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 1b
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N-(2-ethoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880044
N-(5-fluoro-2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 46705128) is N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NC2CC2)n(C)n1.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is MQWCOTXRHOFSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-13(15(19)16-10-7-8-10)9-12(17-18)11-5-3-4-6-14(11)20-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46705128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).