N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine

C13H23N3O — CID 113362176

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyVLYXTABXHGDDPD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds6

About N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine

N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 113362176) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID113362176
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyVLYXTABXHGDDPD-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081
4-[2-(ethylamino)-3-(oxolan-3-yl)propyl]pyridin-2-amine
CID 103987201
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine (CID 113362176) is N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine is CCNC(Cc1cnn(C)c1)CC1CCOC1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is VLYXTABXHGDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 113362176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).