N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

C10H14ClN3 — CID 130702558

IUPACN-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1ncc(CNC2CC=CC2)c1Cl
InChIInChI=1S/C10H14ClN3/c1-14-10(11)8(7-13-14)6-12-9-4-2-3-5-9/h2-3,7,9,12H,4-6H2,1H3
InChIKeyUFFFXPOBBMWFGL-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.88
Rot. Bonds3

About N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 130702558) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
PubChem CID130702558
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC NameN-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1ncc(CNC2CC=CC2)c1Cl
InChIInChI=1S/C10H14ClN3/c1-14-10(11)8(7-13-14)6-12-9-4-2-3-5-9/h2-3,7,9,12H,4-6H2,1H3
InChIKeyUFFFXPOBBMWFGL-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (CID 130702558) is N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is Cn1ncc(CNC2CC=CC2)c1Cl.
What is the InChIKey of N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is UFFFXPOBBMWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-10(11)8(7-13-14)6-12-9-4-2-3-5-9/h2-3,7,9,12H,4-6H2,1H3.
What are the key properties of N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 211.70 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 130702558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).