2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol

C12H23N3O — CID 115696021

IUPAC2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCCCn1nc(C)c(CNC(C)CO)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-15-11(4)12(10(3)14-15)7-13-9(2)8-16/h9,13,16H,5-8H2,1-4H3
InChIKeyFPCZFBWDDMDVPP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.38
Rot. Bonds6

About 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol

2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 115696021) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID115696021
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCCCn1nc(C)c(CNC(C)CO)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-15-11(4)12(10(3)14-15)7-13-9(2)8-16/h9,13,16H,5-8H2,1-4H3
InChIKeyFPCZFBWDDMDVPP-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95286892
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
CID 111468987
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
CID 61490053
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-methylsulfanylpentan-2-amine
CID 95119668
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol (CID 115696021) is 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol is CCCn1nc(C)c(CNC(C)CO)c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is FPCZFBWDDMDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-15-11(4)12(10(3)14-15)7-13-9(2)8-16/h9,13,16H,5-8H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol?
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115696021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).