5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde

C14H15N5O — CID 95996033

IUPAC5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
SMILESCCn1nc(-c2ccc3c(c2)ncn3C)c(C=O)c1N
InChIInChI=1S/C14H15N5O/c1-3-19-14(15)10(7-20)13(17-19)9-4-5-12-11(6-9)16-8-18(12)2/h4-8H,3,15H2,1-2H3
InChIKeyBDXQVMTVNFTKTE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde

5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde (PubChem CID 95996033) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
PubChem CID95996033
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
SMILESCCn1nc(-c2ccc3c(c2)ncn3C)c(C=O)c1N
InChIInChI=1S/C14H15N5O/c1-3-19-14(15)10(7-20)13(17-19)9-4-5-12-11(6-9)16-8-18(12)2/h4-8H,3,15H2,1-2H3
InChIKeyBDXQVMTVNFTKTE-UHFFFAOYSA-N
XLogP1.85
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
5-amino-3-(3,4-dimethylphenyl)-1-prop-2-ynylpyrazole-4-carbaldehyde
CID 82360330
3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474450
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 95991204
5-amino-3-(4-ethylphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360347
5-(1-methylbenzimidazol-5-yl)-1,3-oxazol-2-amine
CID 116832297
3-[5-amino-3-(3,4-dimethylphenyl)-4-formylpyrazol-1-yl]propanoic acid
CID 82360323
5-amino-3-(4-chloro-3-methylphenyl)-1-prop-2-ynylpyrazole-4-carbaldehyde
CID 95995982
5-amino-3-(3-nitrophenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360447
5-ethyl-6-(1-methylbenzimidazol-5-yl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 89426872
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 22391301

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde (CID 95996033) is 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde is CCn1nc(-c2ccc3c(c2)ncn3C)c(C=O)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde?
The InChIKey is BDXQVMTVNFTKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-19-14(15)10(7-20)13(17-19)9-4-5-12-11(6-9)16-8-18(12)2/h4-8H,3,15H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde?
5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde has a molecular weight of 269.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 95996033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).