N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide

C16H16FN5O — CID 19285937

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O/c1-12-6-8-18-22(12)11-16(23)19-15-7-9-21(20-15)10-13-4-2-3-5-14(13)17/h2-9H,10-11H2,1H3,(H,19,20,23)
InChIKeyMJEKMWDYGYMGRE-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.21
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 19285937) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID19285937
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O/c1-12-6-8-18-22(12)11-16(23)19-15-7-9-21(20-15)10-13-4-2-3-5-14(13)17/h2-9H,10-11H2,1H3,(H,19,20,23)
InChIKeyMJEKMWDYGYMGRE-UHFFFAOYSA-N
XLogP2.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569956
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521270
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 19527457
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19286049
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide (CID 19285937) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)Nc1ccn(Cc2ccccc2F)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is MJEKMWDYGYMGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-12-6-8-18-22(12)11-16(23)19-15-7-9-21(20-15)10-13-4-2-3-5-14(13)17/h2-9H,10-11H2,1H3,(H,19,20,23).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 313.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19285937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).