1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol

C11H21N3O2 — CID 102805094

IUPAC1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nn(C)cc1NCC(O)COC(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)16-7-10(15)5-12-11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3
InChIKeyDUNASKBCKYRUCS-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.93
Rot. Bonds6

About 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol

1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 102805094) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID102805094
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nn(C)cc1NCC(O)COC(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)16-7-10(15)5-12-11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3
InChIKeyDUNASKBCKYRUCS-UHFFFAOYSA-N
XLogP0.93
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
CID 102805214
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 107462805
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 102805416
1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
CID 107462679
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189
2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
CID 102805452
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 102805094) is 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol is Cc1nn(C)cc1NCC(O)COC(C)C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is DUNASKBCKYRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)16-7-10(15)5-12-11-6-14(4)13-9(11)3/h6,8,10,12,15H,5,7H2,1-4H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 102805094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).