2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol

C14H23N5O — CID 110905622

IUPAC2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCCn1cccn1
InChIInChI=1S/C14H23N5O/c1-12-14(13(2)19(17-12)9-10-20)11-15-5-3-7-18-8-4-6-16-18/h4,6,8,15,20H,3,5,7,9-11H2,1-2H3
InChIKeyLTVMLVPJRRYYCO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.87
Rot. Bonds8

About 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905622) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905622
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCCn1cccn1
InChIInChI=1S/C14H23N5O/c1-12-14(13(2)19(17-12)9-10-20)11-15-5-3-7-18-8-4-6-16-18/h4,6,8,15,20H,3,5,7,9-11H2,1-2H3
InChIKeyLTVMLVPJRRYYCO-UHFFFAOYSA-N
XLogP0.87
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37393007
1-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53616082
2-[3,5-Dimethyl-4-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 53616949
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
1-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 72141014
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]propan-1-amine
CID 52387528
2-[3,5-Dimethyl-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 53522529
2-[3,5-Dimethyl-4-[(2-pyrazol-1-ylethylamino)methyl]pyrazol-1-yl]ethanol
CID 72047570
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine
CID 97837440
2-(3,5-dimethyl-4-{[4-(1H-pyrazol-3-yl)piperidin-1-yl]methyl}-1H-pyrazol-1-yl)ethanol
CID 109931325
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787961

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol (CID 110905622) is 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCCCn1cccn1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is LTVMLVPJRRYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12-14(13(2)19(17-12)9-10-20)11-15-5-3-7-18-8-4-6-16-18/h4,6,8,15,20H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 277.37 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).