N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C14H16F3N5O2 — CID 138017040

IUPACN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)8-22-4-3-10(21-22)13(23)18-12-6-11(19-20-12)9-2-1-5-24-7-9/h3-4,6,9H,1-2,5,7-8H2,(H2,18,19,20,23)
InChIKeyXDTFJCZVRVTJKV-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.31
Rot. Bonds4

About N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 138017040) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID138017040
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)8-22-4-3-10(21-22)13(23)18-12-6-11(19-20-12)9-2-1-5-24-7-9/h3-4,6,9H,1-2,5,7-8H2,(H2,18,19,20,23)
InChIKeyXDTFJCZVRVTJKV-UHFFFAOYSA-N
XLogP2.31
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)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-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 166220350
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 136523539
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 134286405
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
CID 119794227

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 138017040) is N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is O=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is XDTFJCZVRVTJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c15-14(16,17)8-22-4-3-10(21-22)13(23)18-12-6-11(19-20-12)9-2-1-5-24-7-9/h3-4,6,9H,1-2,5,7-8H2,(H2,18,19,20,23).
What are the key properties of N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138017040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).