N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C22H20FN5O2 — CID 19411316

IUPACN-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccccc4F)n3)[nH]n2)c1
InChIInChI=1S/C22H20FN5O2/c1-14-10-21(27-28(14)13-16-6-3-4-9-18(16)23)24-22(29)20-12-19(25-26-20)15-7-5-8-17(11-15)30-2/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29)
InChIKeyYKNZHUQJNQDQEY-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19411316) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19411316
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccccc4F)n3)[nH]n2)c1
InChIInChI=1S/C22H20FN5O2/c1-14-10-21(27-28(14)13-16-6-3-4-9-18(16)23)24-22(29)20-12-19(25-26-20)15-7-5-8-17(11-15)30-2/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29)
InChIKeyYKNZHUQJNQDQEY-UHFFFAOYSA-N
XLogP4.03
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19411298
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
(E)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19409543
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509760
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509817
3-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19409574
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
5-[[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494380
3-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19514563
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696
5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 19411192
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491608

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19411316) is N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccccc4F)n3)[nH]n2)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YKNZHUQJNQDQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-10-21(27-28(14)13-16-6-3-4-9-18(16)23)24-22(29)20-12-19(25-26-20)15-7-5-8-17(11-15)30-2/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19411316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).