4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H19BrN4O — CID 62076563

IUPAC4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C15H19BrN4O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19)
InChIKeyFNBIKRYXGKHULD-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.15
Rot. Bonds4

About 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076563) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076563
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C15H19BrN4O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19)
InChIKeyFNBIKRYXGKHULD-UHFFFAOYSA-N
XLogP3.15
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076393
4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082996
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076063
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564229
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617538
4-amino-5-cyclopropyl-N-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62078609

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076563) is 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2)c1N.
What is the InChIKey of 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FNBIKRYXGKHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-9(2)13-12(17)14(19-18-13)15(21)20(3)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).