1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

C18H26N4OS — CID 136525348

IUPAC1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-14(2)22-10-7-17(20-22)18(23)19-12-15-5-8-21(9-6-15)13-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,19,23)
InChIKeyWVMKINBWFCGDLO-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.17
Rot. Bonds6

About 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide

1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 136525348) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID136525348
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-14(2)22-10-7-17(20-22)18(23)19-12-15-5-8-21(9-6-15)13-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,19,23)
InChIKeyWVMKINBWFCGDLO-UHFFFAOYSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
CID 49133501
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 16896214
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 136525348) is 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)n1.
What is the InChIKey of 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is WVMKINBWFCGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-14(2)22-10-7-17(20-22)18(23)19-12-15-5-8-21(9-6-15)13-16-4-3-11-24-16/h3-4,7,10-11,14-15H,5-6,8-9,12-13H2,1-2H3,(H,19,23).
What are the key properties of 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136525348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).