3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol

C19H21N5O — CID 31192925

IUPAC3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol
SMILESCn1cc(-c2ccnc(N3CCC(c4cccc(O)c4)CC3)n2)cn1
InChIInChI=1S/C19H21N5O/c1-23-13-16(12-21-23)18-5-8-20-19(22-18)24-9-6-14(7-10-24)15-3-2-4-17(25)11-15/h2-5,8,11-14,25H,6-7,9-10H2,1H3
InChIKeyNTCXOROMAUXRLJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds3

About 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol

3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol (PubChem CID 31192925) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol
PubChem CID31192925
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol
SMILESCn1cc(-c2ccnc(N3CCC(c4cccc(O)c4)CC3)n2)cn1
InChIInChI=1S/C19H21N5O/c1-23-13-16(12-21-23)18-5-8-20-19(22-18)24-9-6-14(7-10-24)15-3-2-4-17(25)11-15/h2-5,8,11-14,25H,6-7,9-10H2,1H3
InChIKeyNTCXOROMAUXRLJ-UHFFFAOYSA-N
XLogP2.97
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278998
3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 154763837
3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
CID 91776992
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 46992065
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol (CID 31192925) is 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol is Cn1cc(-c2ccnc(N3CCC(c4cccc(O)c4)CC3)n2)cn1.
What is the InChIKey of 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol?
The InChIKey is NTCXOROMAUXRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-13-16(12-21-23)18-5-8-20-19(22-18)24-9-6-14(7-10-24)15-3-2-4-17(25)11-15/h2-5,8,11-14,25H,6-7,9-10H2,1H3.
What are the key properties of 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol?
3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 31192925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).