3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine

C13H23N3 — CID 115653177

IUPAC3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCc2cnn(C)c2)C1
InChIInChI=1S/C13H23N3/c1-11-5-6-13(8-11)14-7-3-4-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyBEUYFOGABOANBQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds5

About 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine

3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine (PubChem CID 115653177) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
PubChem CID115653177
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCc2cnn(C)c2)C1
InChIInChI=1S/C13H23N3/c1-11-5-6-13(8-11)14-7-3-4-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyBEUYFOGABOANBQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
1-cyclopropyl-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110934875
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
CID 103019344
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentyl]methyl]cyclopropanamine
CID 103019932

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine (CID 115653177) is 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine is CC1CCC(NCCCc2cnn(C)c2)C1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine?
The InChIKey is BEUYFOGABOANBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-5-6-13(8-11)14-7-3-4-12-9-15-16(2)10-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine?
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 115653177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).