N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine

C11H19N3 — CID 61463105

IUPACN-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
SMILESc1cnn(CCNCC2CCCC2)c1
InChIInChI=1S/C11H19N3/c1-2-5-11(4-1)10-12-7-9-14-8-3-6-13-14/h3,6,8,11-12H,1-2,4-5,7,9-10H2
InChIKeyTZFODNLKVBHANH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds5

About N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine

N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine (PubChem CID 61463105) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
PubChem CID61463105
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
SMILESc1cnn(CCNCC2CCCC2)c1
InChIInChI=1S/C11H19N3/c1-2-5-11(4-1)10-12-7-9-14-8-3-6-13-14/h3,6,8,11-12H,1-2,4-5,7,9-10H2
InChIKeyTZFODNLKVBHANH-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
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

3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol
CID 66006795
2-pyrazol-1-yl-N-(thian-2-ylmethyl)ethanamine
CID 80600411
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine (CID 61463105) is N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine is c1cnn(CCNCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine?
The InChIKey is TZFODNLKVBHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-5-11(4-1)10-12-7-9-14-8-3-6-13-14/h3,6,8,11-12H,1-2,4-5,7,9-10H2.
What are the key properties of N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine?
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 61463105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).