N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C18H23N3O2 — CID 110372682

IUPACN-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-4-12(2)19-18(22)16-11-17(13-5-6-13)21(20-16)14-7-9-15(23-3)10-8-14/h7-13H,4-6H2,1-3H3,(H,19,22)
InChIKeyVHMWJDZWIJJNQT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds6

About N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 110372682) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID110372682
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-4-12(2)19-18(22)16-11-17(13-5-6-13)21(20-16)14-7-9-15(23-3)10-8-14/h7-13H,4-6H2,1-3H3,(H,19,22)
InChIKeyVHMWJDZWIJJNQT-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 110372682) is N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(C2CC2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is VHMWJDZWIJJNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-12(2)19-18(22)16-11-17(13-5-6-13)21(20-16)14-7-9-15(23-3)10-8-14/h7-13H,4-6H2,1-3H3,(H,19,22).
What are the key properties of N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).