4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

C15H13ClFN5O — CID 19475916

IUPAC4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H13ClFN5O/c1-21-14(13(16)7-18-21)15(23)20-12-6-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyAELQGKIVYWEGPY-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475916) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID19475916
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H13ClFN5O/c1-21-14(13(16)7-18-21)15(23)20-12-6-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyAELQGKIVYWEGPY-UHFFFAOYSA-N
XLogP2.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
4-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475917
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262034
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-prop-1-en-2-yl-1,2-oxazole-3-carboxamide
CID 146220506
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide
CID 46951674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 19475916) is 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is AELQGKIVYWEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-21-14(13(16)7-18-21)15(23)20-12-6-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).