1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide

C20H19FN4O — CID 24898601

IUPAC1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4O/c21-18-4-1-14(2-5-18)12-25-13-17(11-23-25)20(26)24-19-6-3-16-10-22-8-7-15(16)9-19/h1-6,9,11,13,22H,7-8,10,12H2,(H,24,26)
InChIKeyHRZBYXNZXMAYPN-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.97
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide (PubChem CID 24898601) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
PubChem CID24898601
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4O/c21-18-4-1-14(2-5-18)12-25-13-17(11-23-25)20(26)24-19-6-3-16-10-22-8-7-15(16)9-19/h1-6,9,11,13,22H,7-8,10,12H2,(H,24,26)
InChIKeyHRZBYXNZXMAYPN-UHFFFAOYSA-N
XLogP2.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-aminonaphthalen-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168282458
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
T-3775440 hydrochloride
CID 86729932
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 86729933
N-{4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinolin-6-yl}-acetamide
CID 118660758
(3S,4S)-N-(3-cyano-4-fluorophenyl)-2-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 122488861
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
CID 126568395
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide
CID 126568509
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide
CID 126584616
1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 24790283
1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 24791152

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide (CID 24898601) is 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
The InChIKey is HRZBYXNZXMAYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-4-1-14(2-5-18)12-25-13-17(11-23-25)20(26)24-19-6-3-16-10-22-8-7-15(16)9-19/h1-6,9,11,13,22H,7-8,10,12H2,(H,24,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 24898601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).