1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol

C21H30N4O — CID 156601720

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccccc3)C(N3CCCC3)C2)cnn1C
InChIInChI=1S/C21H30N4O/c1-17-18(14-22-23(17)2)15-24-13-10-21(26,19-8-4-3-5-9-19)20(16-24)25-11-6-7-12-25/h3-5,8-9,14,20,26H,6-7,10-13,15-16H2,1-2H3
InChIKeyMCCHSDFMDFJWSF-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.29
Rot. Bonds4

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol

1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 156601720) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID156601720
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCc1c(CN2CCC(O)(c3ccccc3)C(N3CCCC3)C2)cnn1C
InChIInChI=1S/C21H30N4O/c1-17-18(14-22-23(17)2)15-24-13-10-21(26,19-8-4-3-5-9-19)20(16-24)25-11-6-7-12-25/h3-5,8-9,14,20,26H,6-7,10-13,15-16H2,1-2H3
InChIKeyMCCHSDFMDFJWSF-UHFFFAOYSA-N
XLogP2.29
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 87053365
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
1-(2,4-Dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956906
1-(2,5-Dimethylphenyl)-2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956907
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
(3S,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595563
(3R,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595565
(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053364
(1-methyl-1H-pyrazol-5-yl){5-[(2E)-3-phenylprop-2-en-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 90648327
[1-[(1,3-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 53193347
(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol
CID 71687064
[(3R,4R)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](1-ethyl-1H-pyrazol-5-yl)methanone
CID 87053344

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 156601720) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol is Cc1c(CN2CCC(O)(c3ccccc3)C(N3CCCC3)C2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is MCCHSDFMDFJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17-18(14-22-23(17)2)15-24-13-10-21(26,19-8-4-3-5-9-19)20(16-24)25-11-6-7-12-25/h3-5,8-9,14,20,26H,6-7,10-13,15-16H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 354.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 156601720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).