(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H24N6O — CID 95314172

IUPAC(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCn1ccnc1CN1CCN(C[C@H](O)Cn2cccn2)CC1
InChIInChI=1S/C15H24N6O/c1-18-6-4-16-15(18)13-20-9-7-19(8-10-20)11-14(22)12-21-5-2-3-17-21/h2-6,14,22H,7-13H2,1H3/t14-/m0/s1
InChIKeyZVNXMOCMWNETMA-AWEZNQCLSA-N
MW304.40 g/mol
LogP-0.20
Rot. Bonds6

About (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95314172) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95314172
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCn1ccnc1CN1CCN(C[C@H](O)Cn2cccn2)CC1
InChIInChI=1S/C15H24N6O/c1-18-6-4-16-15(18)13-20-9-7-19(8-10-20)11-14(22)12-21-5-2-3-17-21/h2-6,14,22H,7-13H2,1H3/t14-/m0/s1
InChIKeyZVNXMOCMWNETMA-AWEZNQCLSA-N
XLogP-0.20
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94032058
(2R)-1-pyrazol-1-yl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 51963979
(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98765727
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 96558635
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
(2R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393976
(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 51964109
1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95309892

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95314172) is (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cn1ccnc1CN1CCN(C[C@H](O)Cn2cccn2)CC1.
What is the InChIKey of (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ZVNXMOCMWNETMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N6O/c1-18-6-4-16-15(18)13-20-9-7-19(8-10-20)11-14(22)12-21-5-2-3-17-21/h2-6,14,22H,7-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 304.40 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95314172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).