(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine

C13H17BrN4 — CID 105183580

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1ccc(C)nc1
InChIInChI=1S/C13H17BrN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyHSFPFSMDUDHTSN-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.81
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 105183580) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID105183580
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1ccc(C)nc1
InChIInChI=1S/C13H17BrN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3
InChIKeyHSFPFSMDUDHTSN-UHFFFAOYSA-N
XLogP2.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041328
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine (CID 105183580) is (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine is CCCn1ncc(Br)c1C(N)c1ccc(C)nc1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is HSFPFSMDUDHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-6-18-13(11(14)8-17-18)12(15)10-5-4-9(2)16-7-10/h4-5,7-8,12H,3,6,15H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 309.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105183580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).