4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C21H27FN4O2 — CID 142995019

IUPAC4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(F)c1-c1cn[nH]c1C(=O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H27FN4O2/c1-14-3-2-4-18(22)19(14)17-13-23-25-20(17)21(27)24-15-5-9-26(10-6-15)16-7-11-28-12-8-16/h2-4,13,15-16H,5-12H2,1H3,(H,23,25)(H,24,27)
InChIKeySVDXKUHYZQEPPB-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.90
Rot. Bonds4

About 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 142995019) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID142995019
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(F)c1-c1cn[nH]c1C(=O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C21H27FN4O2/c1-14-3-2-4-18(22)19(14)17-13-23-25-20(17)21(27)24-15-5-9-26(10-6-15)16-7-11-28-12-8-16/h2-4,13,15-16H,5-12H2,1H3,(H,23,25)(H,24,27)
InChIKeySVDXKUHYZQEPPB-UHFFFAOYSA-N
XLogP2.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654592
2,6-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118775631
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 118765444
ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 143797168
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 72875264
4-(2-methyltetrazol-5-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118793021

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 142995019) is 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is Cc1cccc(F)c1-c1cn[nH]c1C(=O)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SVDXKUHYZQEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14-3-2-4-18(22)19(14)17-13-23-25-20(17)21(27)24-15-5-9-26(10-6-15)16-7-11-28-12-8-16/h2-4,13,15-16H,5-12H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142995019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).