N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C14H15N5O2 — CID 19399657

IUPACN-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(Cn3cccn3)o2)cnn1C
InChIInChI=1S/C14H15N5O2/c1-10-12(8-16-18(10)2)17-14(20)13-5-4-11(21-13)9-19-7-3-6-15-19/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyATDRCYJJPRSJDN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.82
Rot. Bonds4

About N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19399657) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19399657
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(Cn3cccn3)o2)cnn1C
InChIInChI=1S/C14H15N5O2/c1-10-12(8-16-18(10)2)17-14(20)13-5-4-11(21-13)9-19-7-3-6-15-19/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyATDRCYJJPRSJDN-UHFFFAOYSA-N
XLogP1.82
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19399657) is N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is Cc1c(NC(=O)c2ccc(Cn3cccn3)o2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ATDRCYJJPRSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-12(8-16-18(10)2)17-14(20)13-5-4-11(21-13)9-19-7-3-6-15-19/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19399657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).