4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

C13H15BrN4O — CID 107868791

IUPAC4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1N
InChIInChI=1S/C13H15BrN4O/c1-7(9-3-5-10(14)6-4-9)16-13(19)12-11(15)8(2)17-18-12/h3-7H,15H2,1-2H3,(H,16,19)(H,17,18)/t7-/m1/s1
InChIKeyFRTAHXPXEKWCDB-SSDOTTSWSA-N
MW323.19 g/mol
LogP2.55
Rot. Bonds3

About 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 107868791) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID107868791
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1N
InChIInChI=1S/C13H15BrN4O/c1-7(9-3-5-10(14)6-4-9)16-13(19)12-11(15)8(2)17-18-12/h3-7H,15H2,1-2H3,(H,16,19)(H,17,18)/t7-/m1/s1
InChIKeyFRTAHXPXEKWCDB-SSDOTTSWSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
4-amino-5-ethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 62080944
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 62305713
4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 107863851
4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107796934
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide
CID 113493376
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 107868791) is 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@H](C)c2ccc(Br)cc2)c1N.
What is the InChIKey of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is FRTAHXPXEKWCDB-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-7(9-3-5-10(14)6-4-9)16-13(19)12-11(15)8(2)17-18-12/h3-7H,15H2,1-2H3,(H,16,19)(H,17,18)/t7-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107868791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).