[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine

C10H17N3O — CID 82657299

IUPAC[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine
SMILESCOc1[nH]ncc1C1(CN)CCCC1
InChIInChI=1S/C10H17N3O/c1-14-9-8(6-12-13-9)10(7-11)4-2-3-5-10/h6H,2-5,7,11H2,1H3,(H,12,13)
InChIKeyCQIVQYBRUZFDRX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.19
Rot. Bonds3

About [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine

[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine (PubChem CID 82657299) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine
PubChem CID82657299
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine
SMILESCOc1[nH]ncc1C1(CN)CCCC1
InChIInChI=1S/C10H17N3O/c1-14-9-8(6-12-13-9)10(7-11)4-2-3-5-10/h6H,2-5,7,11H2,1H3,(H,12,13)
InChIKeyCQIVQYBRUZFDRX-UHFFFAOYSA-N
XLogP1.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine (CID 82657299) is [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine is COc1[nH]ncc1C1(CN)CCCC1.
What is the InChIKey of [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine?
The InChIKey is CQIVQYBRUZFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-9-8(6-12-13-9)10(7-11)4-2-3-5-10/h6H,2-5,7,11H2,1H3,(H,12,13).
What are the key properties of [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine?
[1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-1H-pyrazol-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82657299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).