4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide

C13H16N4O2 — CID 65359651

IUPAC4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C13H16N4O2/c1-17-12(11(14)7-15-17)13(18)16-10-5-3-4-9(6-10)8-19-2/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyHHBDWKZOJXIAIG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.40
Rot. Bonds4

About 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65359651) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID65359651
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C13H16N4O2/c1-17-12(11(14)7-15-17)13(18)16-10-5-3-4-9(6-10)8-19-2/h3-7H,8,14H2,1-2H3,(H,16,18)
InChIKeyHHBDWKZOJXIAIG-UHFFFAOYSA-N
XLogP1.40
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
N-[3-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261705
4-amino-N-[(3-bromophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359695
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 65359651) is 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide is COCc1cccc(NC(=O)c2c(N)cnn2C)c1.
What is the InChIKey of 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is HHBDWKZOJXIAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-12(11(14)7-15-17)13(18)16-10-5-3-4-9(6-10)8-19-2/h3-7H,8,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).