N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H24N4OS — CID 38021535

IUPACN-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(SC3CCCC3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C22H24N4OS/c1-2-20-19(15-24-26(20)21-9-5-6-14-23-21)22(27)25-16-10-12-18(13-11-16)28-17-7-3-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyRTDDRHCHCJANGN-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.12
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 38021535) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID38021535
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(SC3CCCC3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C22H24N4OS/c1-2-20-19(15-24-26(20)21-9-5-6-14-23-21)22(27)25-16-10-12-18(13-11-16)28-17-7-3-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyRTDDRHCHCJANGN-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55827653
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(2-methylpiperidin-3-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 120575667
N-[[(2S)-1-cyclopropylpiperidin-2-yl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100655227
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38332153
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
tert-butyl 3-[[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618230

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 38021535) is N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(SC3CCCC3)cc2)cnn1-c1ccccn1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is RTDDRHCHCJANGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-2-20-19(15-24-26(20)21-9-5-6-14-23-21)22(27)25-16-10-12-18(13-11-16)28-17-7-3-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,27).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38021535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).