N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C18H18ClN5O2S — CID 39098345

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2nc(CC(N)=O)cs2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN5O2S/c1-10(2)16-14(8-21-24(16)13-5-3-4-11(19)6-13)17(26)23-18-22-12(9-27-18)7-15(20)25/h3-6,8-10H,7H2,1-2H3,(H2,20,25)(H,22,23,26)
InChIKeyUVFMVQYDPRGLAV-UHFFFAOYSA-N
MW403.90 g/mol
LogP3.39
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 39098345) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID39098345
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2nc(CC(N)=O)cs2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN5O2S/c1-10(2)16-14(8-21-24(16)13-5-3-4-11(19)6-13)17(26)23-18-22-12(9-27-18)7-15(20)25/h3-6,8-10H,7H2,1-2H3,(H2,20,25)(H,22,23,26)
InChIKeyUVFMVQYDPRGLAV-UHFFFAOYSA-N
XLogP3.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
ethyl 2-[2-[[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24666390
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 24666406
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 39098345) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2nc(CC(N)=O)cs2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UVFMVQYDPRGLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-10(2)16-14(8-21-24(16)13-5-3-4-11(19)6-13)17(26)23-18-22-12(9-27-18)7-15(20)25/h3-6,8-10H,7H2,1-2H3,(H2,20,25)(H,22,23,26).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 403.90 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39098345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).