1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol

C11H20ClN3O — CID 114666103

IUPAC1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
SMILESCn1ncc(Cl)c1C(C)(O)CNC(C)(C)C
InChIInChI=1S/C11H20ClN3O/c1-10(2,3)13-7-11(4,16)9-8(12)6-14-15(9)5/h6,13,16H,7H2,1-5H3
InChIKeyZSCWOGWAWBTWFW-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.67
Rot. Bonds3

About 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol

1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol (PubChem CID 114666103) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
PubChem CID114666103
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
SMILESCn1ncc(Cl)c1C(C)(O)CNC(C)(C)C
InChIInChI=1S/C11H20ClN3O/c1-10(2,3)13-7-11(4,16)9-8(12)6-14-15(9)5/h6,13,16H,7H2,1-5H3
InChIKeyZSCWOGWAWBTWFW-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666046
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633954
3-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114667026
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-methylpyrazole
CID 114665602
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
CID 114633513
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol (CID 114666103) is 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol is Cn1ncc(Cl)c1C(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol?
The InChIKey is ZSCWOGWAWBTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-10(2,3)13-7-11(4,16)9-8(12)6-14-15(9)5/h6,13,16H,7H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol?
1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol has a molecular weight of 245.75 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 114666103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).