5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine

C16H20N6 — CID 154654145

IUPAC5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine
SMILESC=CNc1cn[nH]c1-c1nc2ccccc2[nH]1.CNC1CC1
InChIInChI=1S/C12H11N5.C4H9N/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12;1-5-4-2-3-4/h2-7,13H,1H2,(H,14,17)(H,15,16);4-5H,2-3H2,1H3
InChIKeyKYYAUPIVMYEIAY-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.88
Rot. Bonds4

About 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine

5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine (PubChem CID 154654145) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine
PubChem CID154654145
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine
SMILESC=CNc1cn[nH]c1-c1nc2ccccc2[nH]1.CNC1CC1
InChIInChI=1S/C12H11N5.C4H9N/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12;1-5-4-2-3-4/h2-7,13H,1H2,(H,14,17)(H,15,16);4-5H,2-3H2,1H3
InChIKeyKYYAUPIVMYEIAY-UHFFFAOYSA-N
XLogP2.88
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-benzimidazol-2-yl)-N-ethyl-1H-pyrazol-4-amine
CID 177371269
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 170547479
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1H-benzimidazol-2-yloxy)-N-methylcyclohexan-1-amine
CID 102634417
N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 136609014
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine (CID 154654145) is 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine is C=CNc1cn[nH]c1-c1nc2ccccc2[nH]1.CNC1CC1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine?
The InChIKey is KYYAUPIVMYEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C4H9N/c1-2-13-10-7-14-17-11(10)12-15-8-5-3-4-6-9(8)16-12;1-5-4-2-3-4/h2-7,13H,1H2,(H,14,17)(H,15,16);4-5H,2-3H2,1H3.
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine?
5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine has a molecular weight of 296.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-ethenyl-1H-pyrazol-4-amine;N-methylcyclopropanamine is sourced from PubChem (CID 154654145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).