1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol

C20H23N5O — CID 29185131

IUPAC1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccnc(N2CCC(O)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-19(15(2)25(23-14)16-6-4-3-5-7-16)18-8-11-21-20(22-18)24-12-9-17(26)10-13-24/h3-8,11,17,26H,9-10,12-13H2,1-2H3
InChIKeyVREIBDNKDRKIPA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.91
Rot. Bonds3

About 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol

1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 29185131) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID29185131
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccnc(N2CCC(O)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-19(15(2)25(23-14)16-6-4-3-5-7-16)18-8-11-21-20(22-18)24-12-9-17(26)10-13-24/h3-8,11,17,26H,9-10,12-13H2,1-2H3
InChIKeyVREIBDNKDRKIPA-UHFFFAOYSA-N
XLogP2.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol (CID 29185131) is 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol is Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is VREIBDNKDRKIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-19(15(2)25(23-14)16-6-4-3-5-7-16)18-8-11-21-20(22-18)24-12-9-17(26)10-13-24/h3-8,11,17,26H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol?
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 349.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 29185131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).