N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide

C15H17N3O — CID 110473533

IUPACN-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCn1nccc1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H17N3O/c1-18-13(8-11-16-18)17-14(19)15(9-5-10-15)12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10H2,1H3,(H,17,19)
InChIKeyFVPAZSJUIWPONA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.48
Rot. Bonds3

About N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide

N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 110473533) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID110473533
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCn1nccc1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H17N3O/c1-18-13(8-11-16-18)17-14(19)15(9-5-10-15)12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10H2,1H3,(H,17,19)
InChIKeyFVPAZSJUIWPONA-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide (CID 110473533) is N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide is Cn1nccc1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is FVPAZSJUIWPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-13(8-11-16-18)17-14(19)15(9-5-10-15)12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10H2,1H3,(H,17,19).
What are the key properties of N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide?
N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 110473533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).