N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H22N4O2 — CID 172895624

IUPACN-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCc2c(C(=O)Nc3ccc(C(C)C)cc3)n[nH]c2C1
InChIInChI=1S/C19H22N4O2/c1-4-17(24)23-10-9-15-16(11-23)21-22-18(15)19(25)20-14-7-5-13(6-8-14)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,20,25)(H,21,22)
InChIKeyDMDBJEMUALROQY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.86
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 172895624) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID172895624
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCc2c(C(=O)Nc3ccc(C(C)C)cc3)n[nH]c2C1
InChIInChI=1S/C19H22N4O2/c1-4-17(24)23-10-9-15-16(11-23)21-22-18(15)19(25)20-14-7-5-13(6-8-14)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,20,25)(H,21,22)
InChIKeyDMDBJEMUALROQY-UHFFFAOYSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[(4-cyanophenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575348
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-[(4-propan-2-ylphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3831374
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 68649521
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 172895624) is N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is C=CC(=O)N1CCc2c(C(=O)Nc3ccc(C(C)C)cc3)n[nH]c2C1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is DMDBJEMUALROQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-17(24)23-10-9-15-16(11-23)21-22-18(15)19(25)20-14-7-5-13(6-8-14)12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,20,25)(H,21,22).
What are the key properties of N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 172895624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).