N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide

C17H24F2N4O2 — CID 154855907

IUPACN-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide
SMILESCCC1CC1C(=O)NC1CCC(C)N(C(=O)c2cnn(C(F)F)c2)C1
InChIInChI=1S/C17H24F2N4O2/c1-3-11-6-14(11)15(24)21-13-5-4-10(2)22(9-13)16(25)12-7-20-23(8-12)17(18)19/h7-8,10-11,13-14,17H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyDQZTVJZLMVHXGY-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.43
Rot. Bonds5

About N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide

N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide (PubChem CID 154855907) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide
PubChem CID154855907
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC NameN-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide
SMILESCCC1CC1C(=O)NC1CCC(C)N(C(=O)c2cnn(C(F)F)c2)C1
InChIInChI=1S/C17H24F2N4O2/c1-3-11-6-14(11)15(24)21-13-5-4-10(2)22(9-13)16(25)12-7-20-23(8-12)17(18)19/h7-8,10-11,13-14,17H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyDQZTVJZLMVHXGY-UHFFFAOYSA-N
XLogP2.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-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-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide (CID 154855907) is N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide is CCC1CC1C(=O)NC1CCC(C)N(C(=O)c2cnn(C(F)F)c2)C1.
What is the InChIKey of N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide?
The InChIKey is DQZTVJZLMVHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-3-11-6-14(11)15(24)21-13-5-4-10(2)22(9-13)16(25)12-7-20-23(8-12)17(18)19/h7-8,10-11,13-14,17H,3-6,9H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide?
N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-methylpiperidin-3-yl]-2-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 154855907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).