(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine

C14H24BrN3 — CID 105054014

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)c2c(Br)cnn2C)CCCC1
InChIInChI=1S/C14H24BrN3/c1-10(2)8-14(6-4-5-7-14)13(16)12-11(15)9-17-18(12)3/h9-10,13H,4-8,16H2,1-3H3
InChIKeyROLANQSHSDXLDY-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.79
Rot. Bonds4

About (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine

(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine (PubChem CID 105054014) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
PubChem CID105054014
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCC(C)CC1(C(N)c2c(Br)cnn2C)CCCC1
InChIInChI=1S/C14H24BrN3/c1-10(2)8-14(6-4-5-7-14)13(16)12-11(15)9-17-18(12)3/h9-10,13H,4-8,16H2,1-3H3
InChIKeyROLANQSHSDXLDY-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 114657001
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656505
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine (CID 105054014) is (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine is CC(C)CC1(C(N)c2c(Br)cnn2C)CCCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
The InChIKey is ROLANQSHSDXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-10(2)8-14(6-4-5-7-14)13(16)12-11(15)9-17-18(12)3/h9-10,13H,4-8,16H2,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine?
(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine has a molecular weight of 314.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine is sourced from PubChem (CID 105054014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).