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

C10H19N3O — CID 114554889

IUPAC3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCCn1nccc1CNCCCO
InChIInChI=1S/C10H19N3O/c1-2-7-13-10(4-6-12-13)9-11-5-3-8-14/h4,6,11,14H,2-3,5,7-9H2,1H3
InChIKeyILRIIPHQBIQKLV-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.77
Rot. Bonds7

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

3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol (PubChem CID 114554889) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
PubChem CID114554889
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCCn1nccc1CNCCCO
InChIInChI=1S/C10H19N3O/c1-2-7-13-10(4-6-12-13)9-11-5-3-8-14/h4,6,11,14H,2-3,5,7-9H2,1H3
InChIKeyILRIIPHQBIQKLV-UHFFFAOYSA-N
XLogP0.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106172739
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol (CID 114554889) is 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol is CCCn1nccc1CNCCCO.
What is the InChIKey of 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The InChIKey is ILRIIPHQBIQKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-7-13-10(4-6-12-13)9-11-5-3-8-14/h4,6,11,14H,2-3,5,7-9H2,1H3.
What are the key properties of 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 114554889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).