4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide

C12H16N4O2 — CID 65355272

IUPAC4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(C)cc2N)o1
InChIInChI=1S/C12H16N4O2/c1-8-4-5-9(18-8)6-15(2)12(17)11-10(13)7-16(3)14-11/h4-5,7H,6,13H2,1-3H3
InChIKeyZXJNJHQIKGFHDG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.18
Rot. Bonds3

About 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide

4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 65355272) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID65355272
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nn(C)cc2N)o1
InChIInChI=1S/C12H16N4O2/c1-8-4-5-9(18-8)6-15(2)12(17)11-10(13)7-16(3)14-11/h4-5,7H,6,13H2,1-3H3
InChIKeyZXJNJHQIKGFHDG-UHFFFAOYSA-N
XLogP1.18
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4807510
4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353986
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
4-(methoxymethyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56871396
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 65354141
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 56752079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide (CID 65355272) is 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is Cc1ccc(CN(C)C(=O)c2nn(C)cc2N)o1.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZXJNJHQIKGFHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-4-5-9(18-8)6-15(2)12(17)11-10(13)7-16(3)14-11/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide?
4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).