4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine

C12H21N3O — CID 115607813

IUPAC4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-10(4-5-12-3-2-8-16-12)13-9-11-6-7-14-15-11/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyYCJUKBDFMXZFEZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds6

About 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine

4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine (PubChem CID 115607813) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
PubChem CID115607813
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
SMILESCC(CCC1CCCO1)NCc1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-10(4-5-12-3-2-8-16-12)13-9-11-6-7-14-15-11/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyYCJUKBDFMXZFEZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 115905222
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
CID 75380778
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-[(2S)-oxolan-2-yl]butan-2-amine
CID 97211565
N-[2-(oxolan-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692344
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
1-(1-propylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 61285477
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-benzyl-1-(oxolan-2-yl)propan-2-amine
CID 122156962

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine (CID 115607813) is 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine is CC(CCC1CCCO1)NCc1ccn[nH]1.
What is the InChIKey of 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine?
The InChIKey is YCJUKBDFMXZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(4-5-12-3-2-8-16-12)13-9-11-6-7-14-15-11/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine?
4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-N-(1H-pyrazol-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 115607813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).