[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H16FN5O — CID 172900126

IUPAC[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ncccc3F)CC2)cn1
InChIInChI=1S/C14H16FN5O/c1-18-10-11(9-17-18)14(21)20-7-5-19(6-8-20)13-12(15)3-2-4-16-13/h2-4,9-10H,5-8H2,1H3
InChIKeyCNRVZEHTBBCMJA-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.92
Rot. Bonds2

About [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172900126) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172900126
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ncccc3F)CC2)cn1
InChIInChI=1S/C14H16FN5O/c1-18-10-11(9-17-18)14(21)20-7-5-19(6-8-20)13-12(15)3-2-4-16-13/h2-4,9-10H,5-8H2,1H3
InChIKeyCNRVZEHTBBCMJA-UHFFFAOYSA-N
XLogP0.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
1-[5-fluoro-8-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]quinolin-7-yl]ethanone
CID 58368568
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone
CID 129492508
(1-methylpyrazol-4-yl)-[4-(4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 172901753
(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
CID 172902881
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172898649

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172900126) is [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCN(c3ncccc3F)CC2)cn1.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is CNRVZEHTBBCMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-18-10-11(9-17-18)14(21)20-7-5-19(6-8-20)13-12(15)3-2-4-16-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172900126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).