N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide

C15H16F2N4O — CID 136568023

IUPACN-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccncc2)C2CC2)cc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-21-12(14(16)17)8-11(20-21)15(22)19-13(9-2-3-9)10-4-6-18-7-5-10/h4-9,13-14H,2-3H2,1H3,(H,19,22)
InChIKeyAQTBMRCLNMGDGZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.63
Rot. Bonds5

About N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide

N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 136568023) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
PubChem CID136568023
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(c2ccncc2)C2CC2)cc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-21-12(14(16)17)8-11(20-21)15(22)19-13(9-2-3-9)10-4-6-18-7-5-10/h4-9,13-14H,2-3H2,1H3,(H,19,22)
InChIKeyAQTBMRCLNMGDGZ-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide (CID 136568023) is N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC(c2ccncc2)C2CC2)cc1C(F)F.
What is the InChIKey of N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AQTBMRCLNMGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-21-12(14(16)17)8-11(20-21)15(22)19-13(9-2-3-9)10-4-6-18-7-5-10/h4-9,13-14H,2-3H2,1H3,(H,19,22).
What are the key properties of N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-4-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).