1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

C19H21ClN4OS — CID 119551871

IUPAC1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)C3CCNC3)cc12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-9-17(18(25)23(2)15-7-8-21-10-15)26-19(16)24(22-12)11-13-3-5-14(20)6-4-13/h3-6,9,15,21H,7-8,10-11H2,1-2H3
InChIKeyTYHORVYRTSUVSG-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.54
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119551871) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119551871
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)C3CCNC3)cc12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-9-17(18(25)23(2)15-7-8-21-10-15)26-19(16)24(22-12)11-13-3-5-14(20)6-4-13/h3-6,9,15,21H,7-8,10-11H2,1-2H3
InChIKeyTYHORVYRTSUVSG-UHFFFAOYSA-N
XLogP3.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
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N-(2-acetamidoethyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
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1-[(4-chlorophenyl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 34546638
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ethyl N-[2-[[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557626
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55429596
(2-amino-2-oxoethyl) 1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2122510
1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-oxoazepan-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 167855641
methyl 1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 112809189
1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 119551871) is 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)C3CCNC3)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is TYHORVYRTSUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12-16-9-17(18(25)23(2)15-7-8-21-10-15)26-19(16)24(22-12)11-13-3-5-14(20)6-4-13/h3-6,9,15,21H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N,3-dimethyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).