N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine

C14H25N3O — CID 103009231

IUPACN-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)CC1CCCO1
InChIInChI=1S/C14H25N3O/c1-3-15-13(9-14-5-4-8-18-14)7-6-12-10-16-17(2)11-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyVPUJUSWZWLIQPA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds7

About N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine

N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine (PubChem CID 103009231) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
PubChem CID103009231
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCc1cnn(C)c1)CC1CCCO1
InChIInChI=1S/C14H25N3O/c1-3-15-13(9-14-5-4-8-18-14)7-6-12-10-16-17(2)11-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyVPUJUSWZWLIQPA-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine (CID 103009231) is N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine is CCNC(CCc1cnn(C)c1)CC1CCCO1.
What is the InChIKey of N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine?
The InChIKey is VPUJUSWZWLIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-15-13(9-14-5-4-8-18-14)7-6-12-10-16-17(2)11-12/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine?
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 103009231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).