1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

C13H25N3O — CID 113317677

IUPAC1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CNCC(C)C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-9(2)6-14-7-13(17)8-16-12(5)10(3)11(4)15-16/h9,13-14,17H,6-8H2,1-5H3
InChIKeyVVRSMAZMJDKYCI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.41
Rot. Bonds6

About 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (PubChem CID 113317677) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
PubChem CID113317677
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CNCC(C)C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-9(2)6-14-7-13(17)8-16-12(5)10(3)11(4)15-16/h9,13-14,17H,6-8H2,1-5H3
InChIKeyVVRSMAZMJDKYCI-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 100688738
3-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-hydroxypropyl]amino]propane-1,2-diol
CID 66168892
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62443116
N-ethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
CID 62038265
4-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-hydroxypropyl]amino]butan-2-ol
CID 64912073
5-bromo-3-[2-hydroxy-3-(2-methylpropylamino)propyl]-6-methylpyrimidin-4-one
CID 113317723
3-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64897360
3-[2-hydroxy-3-(2-methylpropylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115475629
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ol
CID 63946255
1-(tert-butylamino)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 113317686
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(tert-butylamino)propan-2-ol
CID 115475694

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (CID 113317677) is 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is Cc1nn(CC(O)CNCC(C)C)c(C)c1C.
What is the InChIKey of 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is VVRSMAZMJDKYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)6-14-7-13(17)8-16-12(5)10(3)11(4)15-16/h9,13-14,17H,6-8H2,1-5H3.
What are the key properties of 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 113317677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).