5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol

C12H20BrN3O — CID 64810706

IUPAC5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CO)(CCCn1cc(Br)cn1)NC1CC1
InChIInChI=1S/C12H20BrN3O/c1-12(9-17,15-11-3-4-11)5-2-6-16-8-10(13)7-14-16/h7-8,11,15,17H,2-6,9H2,1H3
InChIKeyAXERFCOBLUKDDH-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.93
Rot. Bonds7

About 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol

5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol (PubChem CID 64810706) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
PubChem CID64810706
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CO)(CCCn1cc(Br)cn1)NC1CC1
InChIInChI=1S/C12H20BrN3O/c1-12(9-17,15-11-3-4-11)5-2-6-16-8-10(13)7-14-16/h7-8,11,15,17H,2-6,9H2,1H3
InChIKeyAXERFCOBLUKDDH-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64809657
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 79362010
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
2-(cyclopropylamino)-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpentan-1-ol
CID 64790481
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
6-(4-bromopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710215
2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64811507
3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64809453

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol (CID 64810706) is 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol is CC(CO)(CCCn1cc(Br)cn1)NC1CC1.
What is the InChIKey of 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The InChIKey is AXERFCOBLUKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-12(9-17,15-11-3-4-11)5-2-6-16-8-10(13)7-14-16/h7-8,11,15,17H,2-6,9H2,1H3.
What are the key properties of 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64810706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).