N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide

C17H22F3N5OS — CID 172892186

IUPACN,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)nn1C
InChIInChI=1S/C17H22F3N5OS/c1-11-8-13(22-24(11)3)15(26)23(2)9-12-4-6-25(7-5-12)16-21-14(10-27-16)17(18,19)20/h8,10,12H,4-7,9H2,1-3H3
InChIKeyJRZHMSLNXZGXTP-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.19
Rot. Bonds4

About N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide

N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 172892186) has the molecular formula C17H22F3N5OS and a molecular weight of 401.46 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID172892186
Molecular FormulaC17H22F3N5OS
Molecular Weight401.46 g/mol
Exact Mass401.15
IUPAC NameN,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)nn1C
InChIInChI=1S/C17H22F3N5OS/c1-11-8-13(22-24(11)3)15(26)23(2)9-12-4-6-25(7-5-12)16-21-14(10-27-16)17(18,19)20/h8,10,12H,4-7,9H2,1-3H3
InChIKeyJRZHMSLNXZGXTP-UHFFFAOYSA-N
XLogP3.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 172892186) is N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(c3nc(C(F)(F)F)cs3)CC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is JRZHMSLNXZGXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5OS/c1-11-8-13(22-24(11)3)15(26)23(2)9-12-4-6-25(7-5-12)16-21-14(10-27-16)17(18,19)20/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 172892186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).