1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C18H20ClN5O3 — CID 19275792

IUPAC1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccn(COc3cc(C)ccc3Cl)n2)cn1
InChIInChI=1S/C18H20ClN5O3/c1-3-26-11-24-10-14(9-20-24)21-18(25)16-6-7-23(22-16)12-27-17-8-13(2)4-5-15(17)19/h4-10H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyAMTUYZQENSNQNY-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.32
Rot. Bonds8

About 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide

1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19275792) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19275792
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccn(COc3cc(C)ccc3Cl)n2)cn1
InChIInChI=1S/C18H20ClN5O3/c1-3-26-11-24-10-14(9-20-24)21-18(25)16-6-7-23(22-16)12-27-17-8-13(2)4-5-15(17)19/h4-10H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyAMTUYZQENSNQNY-UHFFFAOYSA-N
XLogP3.32
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272973
1-[(4-bromophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272527
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401856
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649
1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275783
1-[(2,4-dimethylphenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275205
1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272826
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19275792) is 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is CCOCn1cc(NC(=O)c2ccn(COc3cc(C)ccc3Cl)n2)cn1.
What is the InChIKey of 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is AMTUYZQENSNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-3-26-11-24-10-14(9-20-24)21-18(25)16-6-7-23(22-16)12-27-17-8-13(2)4-5-15(17)19/h4-10H,3,11-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methylphenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).