2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

C13H17N5 — CID 110254279

IUPAC2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCc1cn[nH]c1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H17N5/c1-10-8-16-17-12(10)11-4-2-7-18(9-11)13-14-5-3-6-15-13/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyIKBNABUXXMKKTO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.89
Rot. Bonds2

About 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 110254279) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID110254279
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCc1cn[nH]c1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H17N5/c1-10-8-16-17-12(10)11-4-2-7-18(9-11)13-14-5-3-6-15-13/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyIKBNABUXXMKKTO-UHFFFAOYSA-N
XLogP1.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 95845236
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
CID 110091067
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95197091
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (CID 110254279) is 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is Cc1cn[nH]c1C1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is IKBNABUXXMKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-8-16-17-12(10)11-4-2-7-18(9-11)13-14-5-3-6-15-13/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 110254279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).