1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C16H25N5O — CID 56781089

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cc(C)n(CC2CCCN2CC(O)Cn2cccn2)n1
InChIInChI=1S/C16H25N5O/c1-13-9-14(2)21(18-13)10-15-5-3-7-19(15)11-16(22)12-20-8-4-6-17-20/h4,6,8-9,15-16,22H,3,5,7,10-12H2,1-2H3
InChIKeyXKVRYLUWNIPRKB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 56781089) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID56781089
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cc(C)n(CC2CCCN2CC(O)Cn2cccn2)n1
InChIInChI=1S/C16H25N5O/c1-13-9-14(2)21(18-13)10-15-5-3-7-19(15)11-16(22)12-20-8-4-6-17-20/h4,6,8-9,15-16,22H,3,5,7,10-12H2,1-2H3
InChIKeyXKVRYLUWNIPRKB-UHFFFAOYSA-N
XLogP1.22
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]-
CID 2755571
1-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53616082
1-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 72141014
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
2-[3,5-Dimethyl-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 53522529
2-[3,5-Dimethyl-4-[(2-pyrazol-1-ylethylamino)methyl]pyrazol-1-yl]ethanol
CID 72047570
1-Pyrazol-1-yl-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-2-ol
CID 136522335
2-[1-Propan-2-yl-3-(pyrazol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanol
CID 97519271
2-[3-[2-(1,5-Dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol
CID 68737660
(3,5-Dimethylpyrazol-1-yl)methanol;pyrazol-1-ylmethanol
CID 157653064
1-Ethyl-3,5-dimethylpyrazole;1-ethyl-3-methylpyrazole;2-methoxypropane
CID 163750459
(2S)-1-[4-[4-[1-(1-cyclopropylpropyl)pyrazol-4-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 163868671

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 56781089) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1cc(C)n(CC2CCCN2CC(O)Cn2cccn2)n1.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XKVRYLUWNIPRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-9-14(2)21(18-13)10-15-5-3-7-19(15)11-16(22)12-20-8-4-6-17-20/h4,6,8-9,15-16,22H,3,5,7,10-12H2,1-2H3.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 56781089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).