5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

C22H25N5O — CID 55827653

IUPAC5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)cnn1-c1ccccn1
InChIInChI=1S/C22H25N5O/c1-3-19-18(15-24-27(19)21-8-4-5-11-23-21)22(28)25-17-9-10-20(16(2)14-17)26-12-6-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,28)
InChIKeyMTJLJQRSRQQFQH-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.99
Rot. Bonds5

About 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55827653) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55827653
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)cnn1-c1ccccn1
InChIInChI=1S/C22H25N5O/c1-3-19-18(15-24-27(19)21-8-4-5-11-23-21)22(28)25-17-9-10-20(16(2)14-17)26-12-6-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,28)
InChIKeyMTJLJQRSRQQFQH-UHFFFAOYSA-N
XLogP3.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38021535
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55914939
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38332153
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55827653) is 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is MTJLJQRSRQQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-19-18(15-24-27(19)21-8-4-5-11-23-21)22(28)25-17-9-10-20(16(2)14-17)26-12-6-7-13-26/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,25,28).
What are the key properties of 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55827653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).