5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine

C12H13N5 — CID 177371269

IUPAC5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine
SMILESCCNc1cn[nH]c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N5/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12/h3-7,13H,2H2,1H3,(H,14,17)(H,15,16)
InChIKeyMKCPONALAWYZEG-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.38
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine

5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine (PubChem CID 177371269) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine
PubChem CID177371269
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine
SMILESCCNc1cn[nH]c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N5/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12/h3-7,13H,2H2,1H3,(H,14,17)(H,15,16)
InChIKeyMKCPONALAWYZEG-UHFFFAOYSA-N
XLogP2.38
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine
CID 154654145
5-(1H-benzimidazol-2-yl)-N-ethylpyridin-2-amine
CID 7996119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 170547479
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 155678873
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine (CID 177371269) is 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine is CCNc1cn[nH]c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine?
The InChIKey is MKCPONALAWYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12/h3-7,13H,2H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine?
5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 177371269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).