1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol

C18H28N4O — CID 75397635

IUPAC1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol
SMILESCc1cc(C)c(CNc2cnn(CC(O)CN(C)C)c2)c(C)c1
InChIInChI=1S/C18H28N4O/c1-13-6-14(2)18(15(3)7-13)9-19-16-8-20-22(10-16)12-17(23)11-21(4)5/h6-8,10,17,19,23H,9,11-12H2,1-5H3
InChIKeyKXJPTYHVLNNBNB-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.34
Rot. Bonds7

About 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol

1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol (PubChem CID 75397635) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol
PubChem CID75397635
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol
SMILESCc1cc(C)c(CNc2cnn(CC(O)CN(C)C)c2)c(C)c1
InChIInChI=1S/C18H28N4O/c1-13-6-14(2)18(15(3)7-13)9-19-16-8-20-22(10-16)12-17(23)11-21(4)5/h6-8,10,17,19,23H,9,11-12H2,1-5H3
InChIKeyKXJPTYHVLNNBNB-UHFFFAOYSA-N
XLogP2.34
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol (CID 75397635) is 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol is Cc1cc(C)c(CNc2cnn(CC(O)CN(C)C)c2)c(C)c1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol?
The InChIKey is KXJPTYHVLNNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-6-14(2)18(15(3)7-13)9-19-16-8-20-22(10-16)12-17(23)11-21(4)5/h6-8,10,17,19,23H,9,11-12H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol?
1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol has a molecular weight of 316.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 75397635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).