1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol

C19H30N4O2 — CID 51105286

IUPAC1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C19H30N4O2/c1-13-8-7-9-14(2)18(13)25-12-16(24)10-20-11-17-15(3)21-23(6)19(17)22(4)5/h7-9,16,20,24H,10-12H2,1-6H3
InChIKeyPTJCOSKDULQXNW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.94
Rot. Bonds8

About 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol

1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol (PubChem CID 51105286) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
PubChem CID51105286
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C19H30N4O2/c1-13-8-7-9-14(2)18(13)25-12-16(24)10-20-11-17-15(3)21-23(6)19(17)22(4)5/h7-9,16,20,24H,10-12H2,1-6H3
InChIKeyPTJCOSKDULQXNW-UHFFFAOYSA-N
XLogP1.94
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol (CID 51105286) is 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol is Cc1cccc(C)c1OCC(O)CNCc1c(C)nn(C)c1N(C)C.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol?
The InChIKey is PTJCOSKDULQXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-8-7-9-14(2)18(13)25-12-16(24)10-20-11-17-15(3)21-23(6)19(17)22(4)5/h7-9,16,20,24H,10-12H2,1-6H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol?
1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol has a molecular weight of 346.48 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 51105286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).