4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile

C14H17N5O — CID 104847922

IUPAC4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
SMILESCCn1nc(C)c(N)c1Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H17N5O/c1-4-19-14(13(16)9(2)18-19)17-11-6-5-10(8-15)7-12(11)20-3/h5-7,17H,4,16H2,1-3H3
InChIKeyUKFZGUNUTYCNKE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.42
Rot. Bonds4

About 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile

4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile (PubChem CID 104847922) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
PubChem CID104847922
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
SMILESCCn1nc(C)c(N)c1Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H17N5O/c1-4-19-14(13(16)9(2)18-19)17-11-6-5-10(8-15)7-12(11)20-3/h5-7,17H,4,16H2,1-3H3
InChIKeyUKFZGUNUTYCNKE-UHFFFAOYSA-N
XLogP2.42
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
CID 66012800
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012288
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
CID 66013634
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011635
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
1-ethyl-5-N-[2-(2-methoxyethyl)phenyl]-3-methylpyrazole-4,5-diamine
CID 102903455
4-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104850224

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile (CID 104847922) is 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile is CCn1nc(C)c(N)c1Nc1ccc(C#N)cc1OC.
What is the InChIKey of 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile?
The InChIKey is UKFZGUNUTYCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-19-14(13(16)9(2)18-19)17-11-6-5-10(8-15)7-12(11)20-3/h5-7,17H,4,16H2,1-3H3.
What are the key properties of 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile?
4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile has a molecular weight of 271.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104847922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).