(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate

C17H15ClN4O3S — CID 66928938

IUPAC(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate
SMILESCC(=O)c1ncc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)s1
InChIInChI=1S/C17H15ClN4O3S/c1-11(23)16-19-7-14(26-16)9-22-8-13(6-20-22)21-17(24)25-10-12-4-2-3-5-15(12)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyQVFNXRZXTDGHAS-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.99
Rot. Bonds6

About (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate

(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate (PubChem CID 66928938) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate
PubChem CID66928938
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate
SMILESCC(=O)c1ncc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)s1
InChIInChI=1S/C17H15ClN4O3S/c1-11(23)16-19-7-14(26-16)9-22-8-13(6-20-22)21-17(24)25-10-12-4-2-3-5-15(12)18/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyQVFNXRZXTDGHAS-UHFFFAOYSA-N
XLogP3.99
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chlorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929105
CID 66928977
CID 66928977
naphthalen-1-ylmethyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]carbamate
CID 42645812
4,5-dibromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19397696
(2-chloro-4-fluorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929108
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
methyl 2-[[4-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344672
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate?
The IUPAC name of (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate (CID 66928938) is (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate?
The canonical SMILES for (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate is CC(=O)c1ncc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)s1.
What is the InChIKey of (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate?
The InChIKey is QVFNXRZXTDGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-11(23)16-19-7-14(26-16)9-22-8-13(6-20-22)21-17(24)25-10-12-4-2-3-5-15(12)18/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate?
(2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate has a molecular weight of 390.85 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N-[1-[(2-acetyl-1,3-thiazol-5-yl)methyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 66928938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).