1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C18H20ClN5O2 — CID 19275315

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCc3cnn(C)c3)n2)cc(C)c1Cl
InChIInChI=1S/C18H20ClN5O2/c1-12-6-15(7-13(2)17(12)19)26-11-24-5-4-16(22-24)18(25)20-8-14-9-21-23(3)10-14/h4-7,9-10H,8,11H2,1-3H3,(H,20,25)
InChIKeyZICYPFVYMBQUIQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.85
Rot. Bonds6

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19275315) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19275315
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NCc3cnn(C)c3)n2)cc(C)c1Cl
InChIInChI=1S/C18H20ClN5O2/c1-12-6-15(7-13(2)17(12)19)26-11-24-5-4-16(22-24)18(25)20-8-14-9-21-23(3)10-14/h4-7,9-10H,8,11H2,1-3H3,(H,20,25)
InChIKeyZICYPFVYMBQUIQ-UHFFFAOYSA-N
XLogP2.85
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268702
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19581523
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
1-[(2,4-difluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279936
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275405
4-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19275776
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275344
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19270987
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19296577

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19275315) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NCc3cnn(C)c3)n2)cc(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZICYPFVYMBQUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-12-6-15(7-13(2)17(12)19)26-11-24-5-4-16(22-24)18(25)20-8-14-9-21-23(3)10-14/h4-7,9-10H,8,11H2,1-3H3,(H,20,25).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).