N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine

C14H22BrN5 — CID 105182987

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1C)c1c(Br)cnn1CC
InChIInChI=1S/C14H22BrN5/c1-5-7-16-13(12-8-10(3)18-19(12)4)14-11(15)9-17-20(14)6-2/h8-9,13,16H,5-7H2,1-4H3
InChIKeyVBPHIGFDMTWVKU-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.80
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 105182987) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID105182987
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nn1C)c1c(Br)cnn1CC
InChIInChI=1S/C14H22BrN5/c1-5-7-16-13(12-8-10(3)18-19(12)4)14-11(15)9-17-20(14)6-2/h8-9,13,16H,5-7H2,1-4H3
InChIKeyVBPHIGFDMTWVKU-UHFFFAOYSA-N
XLogP2.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 105040135
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 105039919
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184316
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 114219349
N-[(2,5-dimethylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 105148161
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 114656392
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114657636
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 106944472
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 105342219
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine (CID 105182987) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)nn1C)c1c(Br)cnn1CC.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is VBPHIGFDMTWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-5-7-16-13(12-8-10(3)18-19(12)4)14-11(15)9-17-20(14)6-2/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 340.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105182987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).