3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

C12H20ClN3O — CID 64811575

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1ncc(Cl)c1C)C1CC1
InChIInChI=1S/C12H20ClN3O/c1-3-14-12(8-17,10-4-5-10)7-16-9(2)11(13)6-15-16/h6,10,14,17H,3-5,7-8H2,1-2H3
InChIKeyDZQBVKRNBCAPNL-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.60
Rot. Bonds6

About 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (PubChem CID 64811575) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
PubChem CID64811575
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1ncc(Cl)c1C)C1CC1
InChIInChI=1S/C12H20ClN3O/c1-3-14-12(8-17,10-4-5-10)7-16-9(2)11(13)6-15-16/h6,10,14,17H,3-5,7-8H2,1-2H3
InChIKeyDZQBVKRNBCAPNL-UHFFFAOYSA-N
XLogP1.60
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64810522
2-cyclopropyl-2-(ethylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64811763
2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol
CID 64810648
3-(4-chloro-5-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64810937
3-(4-chloro-5-methylpyrazol-1-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 165466536
2-cyclopropyl-2-(ethylamino)-3-(2-propylimidazol-1-yl)propan-1-ol
CID 64809827
2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol
CID 114273985
2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol
CID 64808985
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79581749
2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808993
2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
CID 104747830

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (CID 64811575) is 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol is CCNC(CO)(Cn1ncc(Cl)c1C)C1CC1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The InChIKey is DZQBVKRNBCAPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-14-12(8-17,10-4-5-10)7-16-9(2)11(13)6-15-16/h6,10,14,17H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 1.60, 6 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-cyclopropyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64811575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).