(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine

C17H18BrN3 — CID 115857744

IUPAC(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrN3/c1-2-9-21-16(7-8-20-21)17(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-8,10-11,17H,2,9,19H2,1H3
InChIKeySAEPQBXKTVVDDB-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.26
Rot. Bonds4

About (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine

(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857744) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857744
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrN3/c1-2-9-21-16(7-8-20-21)17(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-8,10-11,17H,2,9,19H2,1H3
InChIKeySAEPQBXKTVVDDB-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 115798794
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
CID 115354391
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine (CID 115857744) is (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is SAEPQBXKTVVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-9-21-16(7-8-20-21)17(19)14-4-3-13-11-15(18)6-5-12(13)10-14/h3-8,10-11,17H,2,9,19H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine?
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 344.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).