1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C16H25N5O — CID 56781111

IUPAC1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnn(CC2CCN(CC(O)Cn3cccn3)CC2)c1
InChIInChI=1S/C16H25N5O/c1-14-9-18-21(10-14)11-15-3-7-19(8-4-15)12-16(22)13-20-6-2-5-17-20/h2,5-6,9-10,15-16,22H,3-4,7-8,11-13H2,1H3
InChIKeyHMFVAFLVXKPGMF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.16
Rot. Bonds6

About 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 56781111) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID56781111
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1cnn(CC2CCN(CC(O)Cn3cccn3)CC2)c1
InChIInChI=1S/C16H25N5O/c1-14-9-18-21(10-14)11-15-3-7-19(8-4-15)12-16(22)13-20-6-2-5-17-20/h2,5-6,9-10,15-16,22H,3-4,7-8,11-13H2,1H3
InChIKeyHMFVAFLVXKPGMF-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 56781111) is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1cnn(CC2CCN(CC(O)Cn3cccn3)CC2)c1.
What is the InChIKey of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is HMFVAFLVXKPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-14-9-18-21(10-14)11-15-3-7-19(8-4-15)12-16(22)13-20-6-2-5-17-20/h2,5-6,9-10,15-16,22H,3-4,7-8,11-13H2,1H3.
What are the key properties of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 56781111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).