N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine

C14H23N3O — CID 65165245

IUPACN-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(CCCC2CCCO2)nc1CNC1CC1
InChIInChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)8-17-9-7-13(16-17)11-15-12-5-6-12/h7,9,12,14-15H,1-6,8,10-11H2
InChIKeyPUCDBTQVDHQUMN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds7

About N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 65165245) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID65165245
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(CCCC2CCCO2)nc1CNC1CC1
InChIInChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)8-17-9-7-13(16-17)11-15-12-5-6-12/h7,9,12,14-15H,1-6,8,10-11H2
InChIKeyPUCDBTQVDHQUMN-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-(oxolan-2-yl)propyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162326
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
CID 65162534
N-[[1-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178499
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79186563
N-[[1-(2-ethylbutyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 82925368

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 65165245) is N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine is c1cn(CCCC2CCCO2)nc1CNC1CC1.
What is the InChIKey of N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is PUCDBTQVDHQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1(3-14-4-2-10-18-14)8-17-9-7-13(16-17)11-15-12-5-6-12/h7,9,12,14-15H,1-6,8,10-11H2.
What are the key properties of N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65165245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).