5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine

C13H16FN5 — CID 121020768

IUPAC5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCC(Cn3cccn3)CC2)nc1
InChIInChI=1S/C13H16FN5/c14-12-8-15-13(16-9-12)18-6-2-11(3-7-18)10-19-5-1-4-17-19/h1,4-5,8-9,11H,2-3,6-7,10H2
InChIKeyAGJQQZZODRFQIP-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.73
Rot. Bonds3

About 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine

5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 121020768) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
PubChem CID121020768
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCC(Cn3cccn3)CC2)nc1
InChIInChI=1S/C13H16FN5/c14-12-8-15-13(16-9-12)18-6-2-11(3-7-18)10-19-5-1-4-17-19/h1,4-5,8-9,11H,2-3,6-7,10H2
InChIKeyAGJQQZZODRFQIP-UHFFFAOYSA-N
XLogP1.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lesopitron
CID 60813
Lesopitron dihydrochloride
CID 60812
2-(4-{1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45250907
2-cyclohexyl-5-({2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}methyl)pyrimidine
CID 70717568
1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70745589
9-(5-Fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118739498
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118745916
1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 11044366
5-fluoro-2-(1H-pyrazol-1-yl)pyrimidine
CID 104606806
2-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}-1,3,5-triazine
CID 91777130
2-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]pyrimidine
CID 72853094
5-fluoro-N~2~,N~4~,N~4~-trimethyl-N~2~-[2-(1H-pyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 72913700

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine (CID 121020768) is 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine is Fc1cnc(N2CCC(Cn3cccn3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is AGJQQZZODRFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-12-8-15-13(16-9-12)18-6-2-11(3-7-18)10-19-5-1-4-17-19/h1,4-5,8-9,11H,2-3,6-7,10H2.
What are the key properties of 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 261.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 121020768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).