4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

C14H16ClN3O2 — CID 6467522

IUPAC4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(Cl)cnn2C)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,1-3H3,(H,17,19)
InChIKeyPKAMQHKQKIKPSR-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 6467522) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID6467522
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(Cl)cnn2C)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,1-3H3,(H,17,19)
InChIKeyPKAMQHKQKIKPSR-UHFFFAOYSA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65356173
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2932611
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891434
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 6467522) is 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is COc1cccc(C(C)NC(=O)c2c(Cl)cnn2C)c1.
What is the InChIKey of 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PKAMQHKQKIKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,1-3H3,(H,17,19).
What are the key properties of 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6467522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).