N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C23H26N4O — CID 108801774

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CC3CCC2C3)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-14(19-12-16-7-8-18(19)11-16)25-23(28)20-13-24-27(15(20)2)22-10-9-17-5-3-4-6-21(17)26-22/h3-6,9-10,13-14,16,18-19H,7-8,11-12H2,1-2H3,(H,25,28)
InChIKeyJBGWLQNVWJVUTJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801774) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801774
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CC3CCC2C3)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-14(19-12-16-7-8-18(19)11-16)25-23(28)20-13-24-27(15(20)2)22-10-9-17-5-3-4-6-21(17)26-22/h3-6,9-10,13-14,16,18-19H,7-8,11-12H2,1-2H3,(H,25,28)
InChIKeyJBGWLQNVWJVUTJ-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788899
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801774) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)C2CC3CCC2C3)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is JBGWLQNVWJVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-14(19-12-16-7-8-18(19)11-16)25-23(28)20-13-24-27(15(20)2)22-10-9-17-5-3-4-6-21(17)26-22/h3-6,9-10,13-14,16,18-19H,7-8,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).