1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide

C21H19FN6O — CID 55619852

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C21H19FN6O/c1-14-20(15(2)28(26-14)18-6-4-17(22)5-7-18)21(29)24-13-16-8-10-23-19(12-16)27-11-3-9-25-27/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyRTXWBRNUGQUXBB-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 55619852) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID55619852
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C21H19FN6O/c1-14-20(15(2)28(26-14)18-6-4-17(22)5-7-18)21(29)24-13-16-8-10-23-19(12-16)27-11-3-9-25-27/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyRTXWBRNUGQUXBB-UHFFFAOYSA-N
XLogP3.14
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 55619718
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 46400150
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55717023
1-(4-fluorophenyl)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 32585867
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide (CID 55619852) is 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is RTXWBRNUGQUXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-14-20(15(2)28(26-14)18-6-4-17(22)5-7-18)21(29)24-13-16-8-10-23-19(12-16)27-11-3-9-25-27/h3-12H,13H2,1-2H3,(H,24,29).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55619852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).