3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

C11H20ClN3O — CID 64810937

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1c(Cl)cnn1CC(C)(CO)NC(C)C
InChIInChI=1S/C11H20ClN3O/c1-8(2)14-11(4,7-16)6-15-9(3)10(12)5-13-15/h5,8,14,16H,6-7H2,1-4H3
InChIKeyGQYPCKHPPWOMOK-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.59
Rot. Bonds5

About 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64810937) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64810937
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1c(Cl)cnn1CC(C)(CO)NC(C)C
InChIInChI=1S/C11H20ClN3O/c1-8(2)14-11(4,7-16)6-15-9(3)10(12)5-13-15/h5,8,14,16H,6-7H2,1-4H3
InChIKeyGQYPCKHPPWOMOK-UHFFFAOYSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64811138
2-(4-Chloro-5-methylpyrazol-1-yl)ethanol
CID 19621870
2-[[1-(4-Amino-5-methylpyrazol-1-yl)-2-methylpropan-2-yl]amino]ethanol
CID 146481264
4-Chloro-1-(1-methoxypropan-2-yl)-5-methylpyrazole
CID 162378153
4-chloro-1-[(2S)-1-methoxypropan-2-yl]-5-methylpyrazole
CID 162378259
4-chloro-1-[(2R)-1-methoxypropan-2-yl]-5-methylpyrazole
CID 162378470
2-(4-Chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane
CID 162378853
4-Chloro-1-(1-methoxy-2-methylpropan-2-yl)-5-methylpyrazole;ethane
CID 162378911
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 19518354
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 19520602
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 19533659
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 19533955

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64810937) is 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is Cc1c(Cl)cnn1CC(C)(CO)NC(C)C.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is GQYPCKHPPWOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-8(2)14-11(4,7-16)6-15-9(3)10(12)5-13-15/h5,8,14,16H,6-7H2,1-4H3.
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 245.75 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64810937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).