3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide

C17H17BrFN5O — CID 19565719

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1Br
InChIInChI=1S/C17H17BrFN5O/c1-12-15(18)11-24(21-12)8-6-17(25)20-16-5-7-23(22-16)10-13-3-2-4-14(19)9-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,22,25)
InChIKeyRSPNVNKJIWVTLG-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.37
Rot. Bonds6

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19565719) has the molecular formula C17H17BrFN5O and a molecular weight of 406.26 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19565719
Molecular FormulaC17H17BrFN5O
Molecular Weight406.26 g/mol
Exact Mass405.06
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1nn(CCC(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1Br
InChIInChI=1S/C17H17BrFN5O/c1-12-15(18)11-24(21-12)8-6-17(25)20-16-5-7-23(22-16)10-13-3-2-4-14(19)9-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,22,25)
InChIKeyRSPNVNKJIWVTLG-UHFFFAOYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550032
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558197
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563692
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19404881
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide
CID 19565652
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19535553
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19565719) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide is Cc1nn(CCC(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is RSPNVNKJIWVTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5O/c1-12-15(18)11-24(21-12)8-6-17(25)20-16-5-7-23(22-16)10-13-3-2-4-14(19)9-13/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,22,25).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 406.26 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19565719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).