N-(2-pyrazol-1-ylethyl)oxolan-3-amine

C9H15N3O — CID 63335100

IUPACN-(2-pyrazol-1-ylethyl)oxolan-3-amine
SMILESc1cnn(CCNC2CCOC2)c1
InChIInChI=1S/C9H15N3O/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1,3,5,9-10H,2,4,6-8H2
InChIKeyUKRARRQSEXJXBT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)oxolan-3-amine

N-(2-pyrazol-1-ylethyl)oxolan-3-amine (PubChem CID 63335100) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)oxolan-3-amine
PubChem CID63335100
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-pyrazol-1-ylethyl)oxolan-3-amine
SMILESc1cnn(CCNC2CCOC2)c1
InChIInChI=1S/C9H15N3O/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1,3,5,9-10H,2,4,6-8H2
InChIKeyUKRARRQSEXJXBT-UHFFFAOYSA-N
XLogP0.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrazol-1-ylethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895292
N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54951074
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214
N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine
CID 115735964
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759430
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 115871543
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)oxolan-3-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)oxolan-3-amine (CID 63335100) is N-(2-pyrazol-1-ylethyl)oxolan-3-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)oxolan-3-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)oxolan-3-amine is c1cnn(CCNC2CCOC2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)oxolan-3-amine?
The InChIKey is UKRARRQSEXJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-11-12(5-1)6-4-10-9-2-7-13-8-9/h1,3,5,9-10H,2,4,6-8H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)oxolan-3-amine?
N-(2-pyrazol-1-ylethyl)oxolan-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)oxolan-3-amine is sourced from PubChem (CID 63335100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).