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

C14H17BrN4O — CID 62076742

IUPAC4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2cccc(Br)c2)c1N
InChIInChI=1S/C14H17BrN4O/c1-8(2)12-11(16)13(19-18-12)14(20)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQKSPOYDGGKULRK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.81
Rot. Bonds4

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

4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076742) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076742
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2cccc(Br)c2)c1N
InChIInChI=1S/C14H17BrN4O/c1-8(2)12-11(16)13(19-18-12)14(20)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQKSPOYDGGKULRK-UHFFFAOYSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
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CID 63010551
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-N-(3-bromo-4-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104775377
4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076563
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63295942

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076742) is 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCc2cccc(Br)c2)c1N.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is QKSPOYDGGKULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8(2)12-11(16)13(19-18-12)14(20)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).