N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide

C20H30F3N3O — CID 177339414

IUPACN-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1C1CCCCC1)CC(C(F)(F)F)CC2
InChIInChI=1S/C20H30F3N3O/c1-19(2,3)12-16(27)24-18-17(13-7-5-4-6-8-13)15-11-14(20(21,22)23)9-10-26(15)25-18/h13-14H,4-12H2,1-3H3,(H,24,25,27)
InChIKeyFWQXPCBXZYCSDJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.43
Rot. Bonds3

About N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide

N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 177339414) has the molecular formula C20H30F3N3O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID177339414
Molecular FormulaC20H30F3N3O
Molecular Weight385.47 g/mol
Exact Mass385.23
IUPAC NameN-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1C1CCCCC1)CC(C(F)(F)F)CC2
InChIInChI=1S/C20H30F3N3O/c1-19(2,3)12-16(27)24-18-17(13-7-5-4-6-8-13)15-11-14(20(21,22)23)9-10-26(15)25-18/h13-14H,4-12H2,1-3H3,(H,24,25,27)
InChIKeyFWQXPCBXZYCSDJ-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 177339414) is N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nn2c(c1C1CCCCC1)CC(C(F)(F)F)CC2.
What is the InChIKey of N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FWQXPCBXZYCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O/c1-19(2,3)12-16(27)24-18-17(13-7-5-4-6-8-13)15-11-14(20(21,22)23)9-10-26(15)25-18/h13-14H,4-12H2,1-3H3,(H,24,25,27).
What are the key properties of N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 385.47 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 177339414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).