2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol

C12H23N3O — CID 66036811

IUPAC2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
SMILESCCn1cc(C(C)(O)CNCC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)12(4,16)9-13-6-10(2)3/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyMTTCNCCTUNVDJP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.36
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol

2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol (PubChem CID 66036811) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
PubChem CID66036811
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
SMILESCCn1cc(C(C)(O)CNCC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)12(4,16)9-13-6-10(2)3/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyMTTCNCCTUNVDJP-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
1-(2-methylpropylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66040374
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 79621609
3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
CID 66039566
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol (CID 66036811) is 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol is CCn1cc(C(C)(O)CNCC(C)C)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol?
The InChIKey is MTTCNCCTUNVDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)12(4,16)9-13-6-10(2)3/h7-8,10,13,16H,5-6,9H2,1-4H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol?
2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 66036811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).