N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C17H24F2N6O — CID 86812854

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN(CC(F)F)CC2)[nH]n1
InChIInChI=1S/C17H24F2N6O/c1-10-16(11(2)24(3)23-10)13-8-14(22-21-13)17(26)20-12-4-6-25(7-5-12)9-15(18)19/h8,12,15H,4-7,9H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyUUDBFLQOMZQFKX-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.89
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 86812854) has the molecular formula C17H24F2N6O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID86812854
Molecular FormulaC17H24F2N6O
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN(CC(F)F)CC2)[nH]n1
InChIInChI=1S/C17H24F2N6O/c1-10-16(11(2)24(3)23-10)13-8-14(22-21-13)17(26)20-12-4-6-25(7-5-12)9-15(18)19/h8,12,15H,4-7,9H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyUUDBFLQOMZQFKX-UHFFFAOYSA-N
XLogP1.89
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 86812854) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN(CC(F)F)CC2)[nH]n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UUDBFLQOMZQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N6O/c1-10-16(11(2)24(3)23-10)13-8-14(22-21-13)17(26)20-12-4-6-25(7-5-12)9-15(18)19/h8,12,15H,4-7,9H2,1-3H3,(H,20,26)(H,21,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86812854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).