1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine

C21H24FN5 — CID 90508069

IUPAC1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H24FN5/c1-16-21(17(2)27(24-16)20-9-5-6-10-23-20)26-13-11-25(12-14-26)15-18-7-3-4-8-19(18)22/h3-10H,11-15H2,1-2H3
InChIKeyMTHLSDCJGSMMAO-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.35
Rot. Bonds4

About 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine

1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 90508069) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID90508069
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H24FN5/c1-16-21(17(2)27(24-16)20-9-5-6-10-23-20)26-13-11-25(12-14-26)15-18-7-3-4-8-19(18)22/h3-10H,11-15H2,1-2H3
InChIKeyMTHLSDCJGSMMAO-UHFFFAOYSA-N
XLogP3.35
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 90507927
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90507644
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
CID 90507603
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90508035
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
4-[[2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90508037

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine (CID 90508069) is 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine is Cc1nn(-c2ccccn2)c(C)c1N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is MTHLSDCJGSMMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-16-21(17(2)27(24-16)20-9-5-6-10-23-20)26-13-11-25(12-14-26)15-18-7-3-4-8-19(18)22/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine?
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 365.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 90508069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).