N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

C15H22BrN5 — CID 105183476

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)cn1)c1c(Br)cnn1CCC
InChIInChI=1S/C15H22BrN5/c1-4-6-17-14(13-10-18-11(3)8-19-13)15-12(16)9-20-21(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3
InChIKeyBIWYCEFHSYDGDJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.24
Rot. Bonds7

About N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105183476) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID105183476
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)cn1)c1c(Br)cnn1CCC
InChIInChI=1S/C15H22BrN5/c1-4-6-17-14(13-10-18-11(3)8-19-13)15-12(16)9-20-21(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3
InChIKeyBIWYCEFHSYDGDJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105041390
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
N-[(4-bromo-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]propan-1-amine
CID 114660620
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 105182987
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 105183476) is N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cnc(C)cn1)c1c(Br)cnn1CCC.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is BIWYCEFHSYDGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-4-6-17-14(13-10-18-11(3)8-19-13)15-12(16)9-20-21(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105183476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).