N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

C15H16N6O3 — CID 19408956

IUPACN,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C15H16N6O3/c1-16-15(23)13-11(9-20(2)19-13)18-14(22)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,8H2,1-2H3,(H,16,23)(H,18,22)
InChIKeyMATDKWZZYQPQOB-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.87
Rot. Bonds5

About N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19408956) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19408956
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C15H16N6O3/c1-16-15(23)13-11(9-20(2)19-13)18-14(22)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,8H2,1-2H3,(H,16,23)(H,18,22)
InChIKeyMATDKWZZYQPQOB-UHFFFAOYSA-N
XLogP0.87
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(2-methylpropyl)-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19402547
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408918
1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide
CID 162627413
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19450675
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 35334539
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (CID 19408956) is N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is MATDKWZZYQPQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-16-15(23)13-11(9-20(2)19-13)18-14(22)12-5-4-10(24-12)8-21-7-3-6-17-21/h3-7,9H,8H2,1-2H3,(H,16,23)(H,18,22).
What are the key properties of N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19408956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).