3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol

C12H21N3O — CID 115762505

IUPAC3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCn1nccc1CNC(CCO)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-15-11(5-7-14-15)9-13-12(6-8-16)10-3-4-10/h5,7,10,12-13,16H,2-4,6,8-9H2,1H3
InChIKeyRIRVVUHZBPSIJL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds7

About 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol

3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol (PubChem CID 115762505) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
PubChem CID115762505
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCn1nccc1CNC(CCO)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-15-11(5-7-14-15)9-13-12(6-8-16)10-3-4-10/h5,7,10,12-13,16H,2-4,6,8-9H2,1H3
InChIKeyRIRVVUHZBPSIJL-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
CID 111457420
5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
CID 175896665
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
5-(3-bromo-3-cyclopropylpropyl)-1-ethylpyrazole
CID 64506978
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol (CID 115762505) is 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol is CCn1nccc1CNC(CCO)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol?
The InChIKey is RIRVVUHZBPSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-11(5-7-14-15)9-13-12(6-8-16)10-3-4-10/h5,7,10,12-13,16H,2-4,6,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol?
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).