3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol

C12H23N3O — CID 106114233

IUPAC3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccn[nH]1
InChIInChI=1S/C12H23N3O/c1-3-4-11(6-8-16)9-13-10(2)12-5-7-14-15-12/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyPATCRZVFAKIMCP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.86
Rot. Bonds8

About 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol

3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol (PubChem CID 106114233) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
PubChem CID106114233
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccn[nH]1
InChIInChI=1S/C12H23N3O/c1-3-4-11(6-8-16)9-13-10(2)12-5-7-14-15-12/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyPATCRZVFAKIMCP-UHFFFAOYSA-N
XLogP1.86
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
CID 106114744
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
CID 106157473
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
N-propyl-2-[1-(1H-pyrazol-5-yl)ethylamino]acetamide
CID 60973020
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
1-methoxy-4-[1-(1H-pyrazol-5-yl)ethylamino]butan-2-ol
CID 106244935

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol (CID 106114233) is 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)c1ccn[nH]1.
What is the InChIKey of 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol?
The InChIKey is PATCRZVFAKIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-11(6-8-16)9-13-10(2)12-5-7-14-15-12/h5,7,10-11,13,16H,3-4,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol?
3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol is sourced from PubChem (CID 106114233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).