1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

C18H23ClN4O2 — CID 4865245

IUPAC1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-13-11-15(3-4-16(13)19)25-12-23-10-7-17(21-23)18(24)20-14-5-8-22(2)9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,20,24)
InChIKeyDYSQRUKWNKDACF-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.71
Rot. Bonds5

About 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 4865245) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID4865245
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-13-11-15(3-4-16(13)19)25-12-23-10-7-17(21-23)18(24)20-14-5-8-22(2)9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,20,24)
InChIKeyDYSQRUKWNKDACF-UHFFFAOYSA-N
XLogP2.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
1-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19274319
dimethyl 5-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19271311
1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide
CID 17021937
ethyl 4-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19472796
1-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19396452
1-[(4-chloro-3-methylphenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19271313
N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584601
1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273354

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (CID 4865245) is 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is DYSQRUKWNKDACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-11-15(3-4-16(13)19)25-12-23-10-7-17(21-23)18(24)20-14-5-8-22(2)9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,20,24).
What are the key properties of 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4865245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).