4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole

C10H15BrN2 — CID 175049382

IUPAC4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CC1CCCC1
InChIInChI=1S/C10H15BrN2/c1-13-10(9(11)7-12-13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyFZLJQKFUIQLLCL-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.92
Rot. Bonds2

About 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole

4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole (PubChem CID 175049382) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
PubChem CID175049382
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CC1CCCC1
InChIInChI=1S/C10H15BrN2/c1-13-10(9(11)7-12-13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyFZLJQKFUIQLLCL-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
CID 114665001
3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
CID 83920300
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 19294775
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
CID 130834100
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
(1S,3aR,7aS)-2-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxylic acid
CID 167754221
1-(5-bromo-1-methylpyrazol-4-yl)-2-cyclobutylethanone
CID 130877669
4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 140891300

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole (CID 175049382) is 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole is Cn1ncc(Br)c1CC1CCCC1.
What is the InChIKey of 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole?
The InChIKey is FZLJQKFUIQLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-10(9(11)7-12-13)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole?
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole is sourced from PubChem (CID 175049382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).