1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine

C12H22BrN3 — CID 114651699

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
SMILESCCCn1ncc(Br)c1C(NC)C(C)CC
InChIInChI=1S/C12H22BrN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3
InChIKeyVRVANTZTPDFSMJ-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine (PubChem CID 114651699) has the molecular formula C12H22BrN3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
PubChem CID114651699
Molecular FormulaC12H22BrN3
Molecular Weight288.23 g/mol
Exact Mass287.10
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
SMILESCCCn1ncc(Br)c1C(NC)C(C)CC
InChIInChI=1S/C12H22BrN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3
InChIKeyVRVANTZTPDFSMJ-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
CID 114661012
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
3-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114666827
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
1-(4-bromo-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660822
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105041007

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine (CID 114651699) is 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine is CCCn1ncc(Br)c1C(NC)C(C)CC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is VRVANTZTPDFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 288.23 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114651699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).