2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide

C19H27ClN4O2 — CID 47927297

IUPAC2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCCN(CC)CCn1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H27ClN4O2/c1-5-23(6-2)11-12-24-14-16(13-21-24)22-18(25)19(3,4)26-17-9-7-15(20)8-10-17/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyZLVLXWXDCDNGMQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.67
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide (PubChem CID 47927297) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
PubChem CID47927297
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCCN(CC)CCn1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H27ClN4O2/c1-5-23(6-2)11-12-24-14-16(13-21-24)22-18(25)19(3,4)26-17-9-7-15(20)8-10-17/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyZLVLXWXDCDNGMQ-UHFFFAOYSA-N
XLogP3.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 121145209
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55473008

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide (CID 47927297) is 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide is CCN(CC)CCn1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is ZLVLXWXDCDNGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-5-23(6-2)11-12-24-14-16(13-21-24)22-18(25)19(3,4)26-17-9-7-15(20)8-10-17/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 378.90 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 47927297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).