1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]

C20H22FN5 — CID 138808933

IUPAC1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
SMILESFc1cccc(-n2cc(CN3CCCC4(CCc5cn[nH]c54)C3)cn2)c1
InChIInChI=1S/C20H22FN5/c21-17-3-1-4-18(9-17)26-13-15(10-23-26)12-25-8-2-6-20(14-25)7-5-16-11-22-24-19(16)20/h1,3-4,9-11,13H,2,5-8,12,14H2,(H,22,24)
InChIKeyKVUACCNJRKCJGZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.21
Rot. Bonds3

About 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]

1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] (PubChem CID 138808933) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine].

Molecular Properties

Compound Name1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
PubChem CID138808933
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
SMILESFc1cccc(-n2cc(CN3CCCC4(CCc5cn[nH]c54)C3)cn2)c1
InChIInChI=1S/C20H22FN5/c21-17-3-1-4-18(9-17)26-13-15(10-23-26)12-25-8-2-6-20(14-25)7-5-16-11-22-24-19(16)20/h1,3-4,9-11,13H,2,5-8,12,14H2,(H,22,24)
InChIKeyKVUACCNJRKCJGZ-UHFFFAOYSA-N
XLogP3.21
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] with MolForge

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Related Compounds

1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70755003
(5R)-9-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97210012
7-(cyclopropylmethyl)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891380
4-[[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77097298
(3aS,6aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138806025
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
5,5-difluoro-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 166267907
1'-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
CID 163316940
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
(4S,9aR)-8-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134704712

Frequently Asked Questions

What is the IUPAC name of 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The IUPAC name of 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] (CID 138808933) is 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine].
What is the SMILES notation for 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The canonical SMILES for 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] is Fc1cccc(-n2cc(CN3CCCC4(CCc5cn[nH]c54)C3)cn2)c1.
What is the InChIKey of 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
The InChIKey is KVUACCNJRKCJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c21-17-3-1-4-18(9-17)26-13-15(10-23-26)12-25-8-2-6-20(14-25)7-5-16-11-22-24-19(16)20/h1,3-4,9-11,13H,2,5-8,12,14H2,(H,22,24).
What are the key properties of 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]?
1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] has a molecular weight of 351.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine] is sourced from PubChem (CID 138808933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).