N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine

C10H17N3O — CID 63360313

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-8(10-4-5-11-13-10)12-9-3-2-6-14-7-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyTYKSQRBSXNLPOV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds3

About N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine

N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine (PubChem CID 63360313) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine
PubChem CID63360313
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)c1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-8(10-4-5-11-13-10)12-9-3-2-6-14-7-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyTYKSQRBSXNLPOV-UHFFFAOYSA-N
XLogP1.24
TPSA49.94 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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
CID 106757805
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine (CID 63360313) is N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine is CC(NC1CCCOC1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine?
The InChIKey is TYKSQRBSXNLPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(10-4-5-11-13-10)12-9-3-2-6-14-7-9/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine?
N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 63360313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).