1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

C19H29N5O — CID 50983994

IUPAC1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3
InChIKeyNDMIHLHHCOOLGT-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.72
Rot. Bonds7

About 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 50983994) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
PubChem CID50983994
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3
InChIKeyNDMIHLHHCOOLGT-UHFFFAOYSA-N
XLogP2.72
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (CID 50983994) is 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is CCC(O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1.
What is the InChIKey of 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is NDMIHLHHCOOLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3.
What are the key properties of 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 343.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 50983994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).