2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

C17H20N4O2 — CID 166259909

IUPAC2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCCCc1[nH]ncc1C(=O)N1CCc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C17H20N4O2/c1-2-3-15-14(9-19-20-15)17(23)21-7-6-11-4-5-12(16(18)22)8-13(11)10-21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyLCIJEQRIISLWHV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.66
Rot. Bonds4

About 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 166259909) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID166259909
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCCCc1[nH]ncc1C(=O)N1CCc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C17H20N4O2/c1-2-3-15-14(9-19-20-15)17(23)21-7-6-11-4-5-12(16(18)22)8-13(11)10-21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyLCIJEQRIISLWHV-UHFFFAOYSA-N
XLogP1.66
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70784145
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104669275
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 167790273
(4-ethyl-5-propylthiophen-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75418089
2-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535092
5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 174890707
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-tert-butylphenyl)methanone
CID 28707230
methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 68508040
[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71824855
(4-butoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859849
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951

Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 166259909) is 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is CCCc1[nH]ncc1C(=O)N1CCc2ccc(C(N)=O)cc2C1.
What is the InChIKey of 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is LCIJEQRIISLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-15-14(9-19-20-15)17(23)21-7-6-11-4-5-12(16(18)22)8-13(11)10-21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 166259909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).