N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine

C13H23N3O — CID 79365651

IUPACN-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)14-7-11-5-4-6-17-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3
InChIKeyDTHABWKQJNLQQH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds4

About N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine

N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine (PubChem CID 79365651) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
PubChem CID79365651
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)14-7-11-5-4-6-17-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3
InChIKeyDTHABWKQJNLQQH-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 97217303
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
CID 154761200
N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
CID 154761418
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 167850731
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 86775431
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine (CID 79365651) is N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCOC1c1cnn(C)c1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine?
The InChIKey is DTHABWKQJNLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)14-7-11-5-4-6-17-13(11)12-8-15-16(3)9-12/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine?
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79365651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).