N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H20BrN3 — CID 62732126

IUPACN-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)17-8-13-9-18-19(11-13)10-12-5-4-6-14(16)7-12/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyVRJSMKAMIMDMQP-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.58
Rot. Bonds4

About N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62732126) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62732126
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)17-8-13-9-18-19(11-13)10-12-5-4-6-14(16)7-12/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyVRJSMKAMIMDMQP-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62730672
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63276910
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 63278706
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]aniline
CID 63338451
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62732126) is N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(Cc2cccc(Br)c2)c1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VRJSMKAMIMDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2,3)17-8-13-9-18-19(11-13)10-12-5-4-6-14(16)7-12/h4-7,9,11,17H,8,10H2,1-3H3.
What are the key properties of N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62732126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).