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

C14H18N4O2 — CID 65356173

IUPAC4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C14H18N4O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyCHGALHWRKDSYGR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds4

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

4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65356173) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID65356173
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C14H18N4O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyCHGALHWRKDSYGR-UHFFFAOYSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 6467522
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
N-[(1S)-1-(3-methoxyphenyl)ethyl]imidazole-1-carboxamide
CID 81373091
4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 65356173) is 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is COc1cccc(C(C)NC(=O)c2c(N)cnn2C)c1.
What is the InChIKey of 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CHGALHWRKDSYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(10-5-4-6-11(7-10)20-3)17-14(19)13-12(15)8-16-18(13)2/h4-9H,15H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65356173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).