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

C17H18ClN5O3 — CID 19507277

IUPAC2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccnn2COc2ccccc2Cl)cn1
InChIInChI=1S/C17H18ClN5O3/c1-2-25-11-22-10-13(9-20-22)21-17(24)15-7-8-19-23(15)12-26-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyICTSTUNGIFAQCV-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.02
Rot. Bonds8

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

2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19507277) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19507277
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCOCn1cc(NC(=O)c2ccnn2COc2ccccc2Cl)cn1
InChIInChI=1S/C17H18ClN5O3/c1-2-25-11-22-10-13(9-20-22)21-17(24)15-7-8-19-23(15)12-26-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyICTSTUNGIFAQCV-UHFFFAOYSA-N
XLogP3.02
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
CID 19507055
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652
3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340497
2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507133
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19507070
N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507012
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19507277) is 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is CCOCn1cc(NC(=O)c2ccnn2COc2ccccc2Cl)cn1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is ICTSTUNGIFAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-2-25-11-22-10-13(9-20-22)21-17(24)15-7-8-19-23(15)12-26-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).