1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide

C17H19F2N5O3 — CID 146125697

IUPAC1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1
InChIInChI=1S/C17H19F2N5O3/c18-16(19)24-8-7-14(23-24)15(25)21-11-3-5-12(6-4-11)22-17(26)20-10-13-2-1-9-27-13/h3-8,13,16H,1-2,9-10H2,(H,21,25)(H2,20,22,26)
InChIKeySEXFRPIKSXUEJU-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.83
Rot. Bonds6

About 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 146125697) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID146125697
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Name1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1
InChIInChI=1S/C17H19F2N5O3/c18-16(19)24-8-7-14(23-24)15(25)21-11-3-5-12(6-4-11)22-17(26)20-10-13-2-1-9-27-13/h3-8,13,16H,1-2,9-10H2,(H,21,25)(H2,20,22,26)
InChIKeySEXFRPIKSXUEJU-UHFFFAOYSA-N
XLogP2.83
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-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

Related Compounds

N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134050686
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787
2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 120785442
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide (CID 146125697) is 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is SEXFRPIKSXUEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c18-16(19)24-8-7-14(23-24)15(25)21-11-3-5-12(6-4-11)22-17(26)20-10-13-2-1-9-27-13/h3-8,13,16H,1-2,9-10H2,(H,21,25)(H2,20,22,26).
What are the key properties of 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146125697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).