4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H14ClF3N4O2 — CID 70739636

IUPAC4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C11H14ClF3N4O2/c1-19-8(7(12)9(18-19)11(13,14)15)10(21)17-5-2-3-16-4-6(5)20/h5-6,16,20H,2-4H2,1H3,(H,17,21)/t5-,6-/m1/s1
InChIKeyKIHJEABPIGQZDX-PHDIDXHHSA-N
MW326.71 g/mol
LogP0.54
Rot. Bonds2

About 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 70739636) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID70739636
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C11H14ClF3N4O2/c1-19-8(7(12)9(18-19)11(13,14)15)10(21)17-5-2-3-16-4-6(5)20/h5-6,16,20H,2-4H2,1H3,(H,17,21)/t5-,6-/m1/s1
InChIKeyKIHJEABPIGQZDX-PHDIDXHHSA-N
XLogP0.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 70739636) is 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KIHJEABPIGQZDX-PHDIDXHHSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-19-8(7(12)9(18-19)11(13,14)15)10(21)17-5-2-3-16-4-6(5)20/h5-6,16,20H,2-4H2,1H3,(H,17,21)/t5-,6-/m1/s1.
What are the key properties of 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 326.71 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).