N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

C14H21N5 — CID 64800285

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESc1cnn(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H21N5/c1-2-5-14(4-1)19-10-6-13(17-19)12-15-8-11-18-9-3-7-16-18/h3,6-7,9-10,14-15H,1-2,4-5,8,11-12H2
InChIKeyOWQYGQNDAKZJAZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.98
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 64800285) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID64800285
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESc1cnn(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H21N5/c1-2-5-14(4-1)19-10-6-13(17-19)12-15-8-11-18-9-3-7-16-18/h3,6-7,9-10,14-15H,1-2,4-5,8,11-12H2
InChIKeyOWQYGQNDAKZJAZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 64800285) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is c1cnn(CCNCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is OWQYGQNDAKZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-5-14(4-1)19-10-6-13(17-19)12-15-8-11-18-9-3-7-16-18/h3,6-7,9-10,14-15H,1-2,4-5,8,11-12H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 64800285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).