4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine

C10H16BrN3 — CID 62071409

IUPAC4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
SMILESCc1nn(CC2CCCC2)c(N)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-9(11)10(12)14(13-7)6-8-4-2-3-5-8/h8H,2-6,12H2,1H3
InChIKeyTUNGCEXTTOTCAI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.73
Rot. Bonds2

About 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine

4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine (PubChem CID 62071409) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
PubChem CID62071409
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
SMILESCc1nn(CC2CCCC2)c(N)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-9(11)10(12)14(13-7)6-8-4-2-3-5-8/h8H,2-6,12H2,1H3
InChIKeyTUNGCEXTTOTCAI-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine (CID 62071409) is 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine is Cc1nn(CC2CCCC2)c(N)c1Br.
What is the InChIKey of 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine?
The InChIKey is TUNGCEXTTOTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-9(11)10(12)14(13-7)6-8-4-2-3-5-8/h8H,2-6,12H2,1H3.
What are the key properties of 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine?
4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine has a molecular weight of 258.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 62071409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).