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

C13H23N3O — CID 63962874

IUPACN-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-3-7-14-12(10-11-5-4-9-17-11)13-6-8-15-16(13)2/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyRTELQKKWQIUQOJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

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

N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 63962874) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID63962874
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C13H23N3O/c1-3-7-14-12(10-11-5-4-9-17-11)13-6-8-15-16(13)2/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyRTELQKKWQIUQOJ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine (CID 63962874) is N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(CC1CCCO1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is RTELQKKWQIUQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-12(10-11-5-4-9-17-11)13-6-8-15-16(13)2/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63962874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).