[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone

C21H21FN4O2 — CID 5327066

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone
SMILESNc1c(C(=O)c2cccc(OC3CCNCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2
InChIKeyQKZZJXRGCHXIAI-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.96
Rot. Bonds5

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone (PubChem CID 5327066) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone
PubChem CID5327066
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone
SMILESNc1c(C(=O)c2cccc(OC3CCNCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2
InChIKeyQKZZJXRGCHXIAI-UHFFFAOYSA-N
XLogP2.96
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ro-3201195
CID 5327067
5-Amino-1-(4-fluorophenyl)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]pyrazole
CID 9931377
4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
(R)-(5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(3-(2,3-dihydroxypropoxy)phenyl)methanone
CID 11632113
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yloxy)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 23647182
1-(4-fluorophenyl)-4-({3-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11561357
N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45269229
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45267518
N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45268376
N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45272642
1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 162668597

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone (CID 5327066) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone is Nc1c(C(=O)c2cccc(OC3CCNCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone?
The InChIKey is QKZZJXRGCHXIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone has a molecular weight of 380.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-piperidin-4-yloxyphenyl)methanone is sourced from PubChem (CID 5327066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).