[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C18H29N5O — CID 77087854

IUPAC[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C18H29N5O/c1-18(2,3)15-11-14(20-21-15)12-23-8-5-13(6-9-23)16(24)17-19-7-10-22(17)4/h7,10-11,13,16,24H,5-6,8-9,12H2,1-4H3,(H,20,21)
InChIKeyIYDVZYPFSDGWIA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.39
Rot. Bonds4

About [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 77087854) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID77087854
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C18H29N5O/c1-18(2,3)15-11-14(20-21-15)12-23-8-5-13(6-9-23)16(24)17-19-7-10-22(17)4/h7,10-11,13,16,24H,5-6,8-9,12H2,1-4H3,(H,20,21)
InChIKeyIYDVZYPFSDGWIA-UHFFFAOYSA-N
XLogP2.39
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 77087854) is [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is IYDVZYPFSDGWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-18(2,3)15-11-14(20-21-15)12-23-8-5-13(6-9-23)16(24)17-19-7-10-22(17)4/h7,10-11,13,16,24H,5-6,8-9,12H2,1-4H3,(H,20,21).
What are the key properties of [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 331.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 77087854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).