5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile

C10H10N4O — CID 115697836

IUPAC5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
SMILESCn1ccc(NCc2ccc(C#N)o2)n1
InChIInChI=1S/C10H10N4O/c1-14-5-4-10(13-14)12-7-9-3-2-8(6-11)15-9/h2-5H,7H2,1H3,(H,12,13)
InChIKeyRYLNQRISVYQMJY-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.50
Rot. Bonds3

About 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile

5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115697836) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115697836
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
SMILESCn1ccc(NCc2ccc(C#N)o2)n1
InChIInChI=1S/C10H10N4O/c1-14-5-4-10(13-14)12-7-9-3-2-8(6-11)15-9/h2-5H,7H2,1H3,(H,12,13)
InChIKeyRYLNQRISVYQMJY-UHFFFAOYSA-N
XLogP1.50
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine
CID 54921369
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
CID 115777643
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103256805
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazol-3-amine
CID 79778271
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743586
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile (CID 115697836) is 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile is Cn1ccc(NCc2ccc(C#N)o2)n1.
What is the InChIKey of 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is RYLNQRISVYQMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-5-4-10(13-14)12-7-9-3-2-8(6-11)15-9/h2-5H,7H2,1H3,(H,12,13).
What are the key properties of 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile?
5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 202.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115697836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).