N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H14ClN5OS — CID 19509183

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H14ClN5OS/c19-13-4-1-3-12(7-13)10-24-11-14(9-20-24)21-18(25)16-8-15(22-23-16)17-5-2-6-26-17/h1-9,11H,10H2,(H,21,25)(H,22,23)
InChIKeyKLBFSVDWXHHAOC-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.29
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509183) has the molecular formula C18H14ClN5OS and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509183
Molecular FormulaC18H14ClN5OS
Molecular Weight383.86 g/mol
Exact Mass383.06
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H14ClN5OS/c19-13-4-1-3-12(7-13)10-24-11-14(9-20-24)21-18(25)16-8-15(22-23-16)17-5-2-6-26-17/h1-9,11H,10H2,(H,21,25)(H,22,23)
InChIKeyKLBFSVDWXHHAOC-UHFFFAOYSA-N
XLogP4.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494574
N-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 99875865
3-[3-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506642
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269992
N-(1-benzylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135706854
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498682
2-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507483
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265254
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19344144

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509183) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KLBFSVDWXHHAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS/c19-13-4-1-3-12(7-13)10-24-11-14(9-20-24)21-18(25)16-8-15(22-23-16)17-5-2-6-26-17/h1-9,11H,10H2,(H,21,25)(H,22,23).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).