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

C16H23N5OS — CID 129342980

IUPAC1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)cn1
InChIInChI=1S/C16H23N5OS/c1-3-21-9-14(7-19-21)16(22)20(8-13-4-5-17-6-13)10-15-12(2)18-11-23-15/h7,9,11,13,17H,3-6,8,10H2,1-2H3/t13-/m0/s1
InChIKeyVQXXHLWMYIFWLT-ZDUSSCGKSA-N
MW333.46 g/mol
LogP1.92
Rot. Bonds6

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

1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 129342980) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID129342980
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)cn1
InChIInChI=1S/C16H23N5OS/c1-3-21-9-14(7-19-21)16(22)20(8-13-4-5-17-6-13)10-15-12(2)18-11-23-15/h7,9,11,13,17H,3-6,8,10H2,1-2H3/t13-/m0/s1
InChIKeyVQXXHLWMYIFWLT-ZDUSSCGKSA-N
XLogP1.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129337972
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
CID 128993498
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129335678
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342747
6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129344134
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342748
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129344186
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129336128
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 170994996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 129342980) is 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)cn1.
What is the InChIKey of 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is VQXXHLWMYIFWLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-21-9-14(7-19-21)16(22)20(8-13-4-5-17-6-13)10-15-12(2)18-11-23-15/h7,9,11,13,17H,3-6,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129342980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).