2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C19H22ClN5O2 — CID 19507426

IUPAC2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C19H22ClN5O2/c1-4-24-11-17(14(3)23-24)13(2)22-19(26)18-9-10-21-25(18)12-27-16-7-5-15(20)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,22,26)
InChIKeyNOZUPMWDDHGCMH-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.59
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19507426) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID19507426
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C19H22ClN5O2/c1-4-24-11-17(14(3)23-24)13(2)22-19(26)18-9-10-21-25(18)12-27-16-7-5-15(20)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,22,26)
InChIKeyNOZUPMWDDHGCMH-UHFFFAOYSA-N
XLogP3.59
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507416
propan-2-yl 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404559
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
4-[(4-ethoxyphenoxy)methyl]-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1235903
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19275347
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19507370
3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509428
2-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 19507558
2-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284118
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 19507426) is 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(C(C)NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is NOZUPMWDDHGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-4-24-11-17(14(3)23-24)13(2)22-19(26)18-9-10-21-25(18)12-27-16-7-5-15(20)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,22,26).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).