(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol

C15H24N4O — CID 83091359

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H24N4O/c1-6-8-19-9-7-16-14(19)12(20)11-10-18(5)17-13(11)15(2,3)4/h7,9-10,12,20H,6,8H2,1-5H3
InChIKeyDNUQRAZQDCIGKO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.41
Rot. Bonds4

About (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol

(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 83091359) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID83091359
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H24N4O/c1-6-8-19-9-7-16-14(19)12(20)11-10-18(5)17-13(11)15(2,3)4/h7,9-10,12,20H,6,8H2,1-5H3
InChIKeyDNUQRAZQDCIGKO-UHFFFAOYSA-N
XLogP2.41
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
(3-methylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
CID 66117982
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 55125650
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol (CID 83091359) is (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is DNUQRAZQDCIGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-6-8-19-9-7-16-14(19)12(20)11-10-18(5)17-13(11)15(2,3)4/h7,9-10,12,20H,6,8H2,1-5H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 276.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 83091359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).