N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide

C19H15Cl2N5OS — CID 19494574

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C19H15Cl2N5OS/c20-15-3-1-2-13(4-15)8-26-11-17(7-23-26)24-19(27)18-5-14(12-28-18)9-25-10-16(21)6-22-25/h1-7,10-12H,8-9H2,(H,24,27)
InChIKeyZGRSAVCRCVLDIF-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.80
Rot. Bonds6

About N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 19494574) has the molecular formula C19H15Cl2N5OS and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
PubChem CID19494574
Molecular FormulaC19H15Cl2N5OS
Molecular Weight432.34 g/mol
Exact Mass431.04
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(Cn2cc(Cl)cn2)cs1
InChIInChI=1S/C19H15Cl2N5OS/c20-15-3-1-2-13(4-15)8-26-11-17(7-23-26)24-19(27)18-5-14(12-28-18)9-25-10-16(21)6-22-25/h1-7,10-12H,8-9H2,(H,24,27)
InChIKeyZGRSAVCRCVLDIF-UHFFFAOYSA-N
XLogP4.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494517
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406
4-[(4-chloropyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19490676
4-[(4-chloropyrazol-1-yl)methyl]-N-(2,6-dichlorophenyl)thiophene-2-carboxamide
CID 19490712
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486529
4-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19505306
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490888
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469743
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471916
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494537
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505236
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509183

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide (CID 19494574) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide is O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(Cn2cc(Cl)cn2)cs1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZGRSAVCRCVLDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5OS/c20-15-3-1-2-13(4-15)8-26-11-17(7-23-26)24-19(27)18-5-14(12-28-18)9-25-10-16(21)6-22-25/h1-7,10-12H,8-9H2,(H,24,27).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19494574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).