1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide

C16H23N5OS — CID 136526678

IUPAC1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-14(12(2)20(3)19-11)15(22)17-7-6-13-10-23-16(18-13)21-8-4-5-9-21/h10H,4-9H2,1-3H3,(H,17,22)
InChIKeyAIQKDUVWORESHZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.07
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 136526678) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
PubChem CID136526678
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-14(12(2)20(3)19-11)15(22)17-7-6-13-10-23-16(18-13)21-8-4-5-9-21/h10H,4-9H2,1-3H3,(H,17,22)
InChIKeyAIQKDUVWORESHZ-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
1,3,5-trimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122293924
1,3,5-trimethyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122326520
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111507108

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide (CID 136526678) is 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is AIQKDUVWORESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-14(12(2)20(3)19-11)15(22)17-7-6-13-10-23-16(18-13)21-8-4-5-9-21/h10H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136526678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).