4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide

C17H16Cl2N6O2 — CID 166204119

IUPAC4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide
SMILESCOCc1ncc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(N)n1
InChIInChI=1S/C17H16Cl2N6O2/c1-27-9-14-21-7-10(16(20)23-14)17(26)24-15-5-6-22-25(15)8-11-12(18)3-2-4-13(11)19/h2-7H,8-9H2,1H3,(H,24,26)(H2,20,21,23)
InChIKeyLGMKCHNQBSISEA-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.01
Rot. Bonds6

About 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide

4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide (PubChem CID 166204119) has the molecular formula C17H16Cl2N6O2 and a molecular weight of 407.26 g/mol. Its IUPAC name is 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide
PubChem CID166204119
Molecular FormulaC17H16Cl2N6O2
Molecular Weight407.26 g/mol
Exact Mass406.07
IUPAC Name4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide
SMILESCOCc1ncc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(N)n1
InChIInChI=1S/C17H16Cl2N6O2/c1-27-9-14-21-7-10(16(20)23-14)17(26)24-15-5-6-22-25(15)8-11-12(18)3-2-4-13(11)19/h2-7H,8-9H2,1H3,(H,24,26)(H2,20,21,23)
InChIKeyLGMKCHNQBSISEA-UHFFFAOYSA-N
XLogP3.01
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
methyl 4-amino-2-[(2,6-dichlorophenyl)methyl]pyrimidine-5-carboxylate
CID 116646730
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 75472314
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 24525267
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38996610
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide (CID 166204119) is 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide is COCc1ncc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(N)n1.
What is the InChIKey of 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide?
The InChIKey is LGMKCHNQBSISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O2/c1-27-9-14-21-7-10(16(20)23-14)17(26)24-15-5-6-22-25(15)8-11-12(18)3-2-4-13(11)19/h2-7H,8-9H2,1H3,(H,24,26)(H2,20,21,23).
What are the key properties of 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide?
4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide has a molecular weight of 407.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(methoxymethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166204119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).