4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine

C17H23N3O — CID 105156665

IUPAC4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c18-16(10-4-8-15-9-5-13-21-15)17-11-12-20(19-17)14-6-2-1-3-7-14/h1-3,6-7,11-12,15-16H,4-5,8-10,13,18H2
InChIKeyUFKYGTZWCPWMSP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds6

About 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine

4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 105156665) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
PubChem CID105156665
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c18-16(10-4-8-15-9-5-13-21-15)17-11-12-20(19-17)14-6-2-1-3-7-14/h1-3,6-7,11-12,15-16H,4-5,8-10,13,18H2
InChIKeyUFKYGTZWCPWMSP-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105156646
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine (CID 105156665) is 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine is NC(CCCC1CCCO1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is UFKYGTZWCPWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-16(10-4-8-15-9-5-13-21-15)17-11-12-20(19-17)14-6-2-1-3-7-14/h1-3,6-7,11-12,15-16H,4-5,8-10,13,18H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine?
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 105156665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).