1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide

C19H24BrN5O2 — CID 56566760

IUPAC1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1Br
InChIInChI=1S/C19H24BrN5O2/c1-11(2)16-15(20)17(24-23-16)19(27)22-13-5-3-4-6-14(13)25-9-7-12(8-10-25)18(21)26/h3-6,11-12H,7-10H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyFEDOHMJTFRCRLU-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.25
Rot. Bonds5

About 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide

1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 56566760) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide
PubChem CID56566760
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1Br
InChIInChI=1S/C19H24BrN5O2/c1-11(2)16-15(20)17(24-23-16)19(27)22-13-5-3-4-6-14(13)25-9-7-12(8-10-25)18(21)26/h3-6,11-12H,7-10H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyFEDOHMJTFRCRLU-UHFFFAOYSA-N
XLogP3.25
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-bromo-5-propan-2-yl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56582193
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870604
N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47089826
4-bromo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56582197
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
1-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]piperidine-4-carboxamide
CID 47089818
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 55787212
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide (CID 56566760) is 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1Br.
What is the InChIKey of 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is FEDOHMJTFRCRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-11(2)16-15(20)17(24-23-16)19(27)22-13-5-3-4-6-14(13)25-9-7-12(8-10-25)18(21)26/h3-6,11-12H,7-10H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24).
What are the key properties of 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide?
1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 56566760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).