N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine

C17H29N3 — CID 81017300

IUPACN-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-2-10-18-13-15-8-7-14(15)12-16-9-11-20(19-16)17-5-3-4-6-17/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3
InChIKeyDKFQKJUUVHKLKL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.57
Rot. Bonds7

About N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine

N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 81017300) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID81017300
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-2-10-18-13-15-8-7-14(15)12-16-9-11-20(19-16)17-5-3-4-6-17/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3
InChIKeyDKFQKJUUVHKLKL-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.57
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-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910526
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
1-cyclohexyl-3-ethylpyrazole
CID 66014335
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599253
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine (CID 81017300) is N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is DKFQKJUUVHKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-10-18-13-15-8-7-14(15)12-16-9-11-20(19-16)17-5-3-4-6-17/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3.
What are the key properties of N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81017300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).