N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H15N5O — CID 71700995

IUPACN-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCn1cnc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc21
InChIInChI=1S/C15H15N5O/c1-20-8-16-12-7-9(5-6-13(12)20)17-15(21)14-10-3-2-4-11(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,21)(H,18,19)
InChIKeyWZBBMGXOHZCXAC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.04
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71700995) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71700995
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCn1cnc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc21
InChIInChI=1S/C15H15N5O/c1-20-8-16-12-7-9(5-6-13(12)20)17-15(21)14-10-3-2-4-11(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,21)(H,18,19)
InChIKeyWZBBMGXOHZCXAC-UHFFFAOYSA-N
XLogP2.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71700995) is N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cn1cnc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WZBBMGXOHZCXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-8-16-12-7-9(5-6-13(12)20)17-15(21)14-10-3-2-4-11(10)18-19-14/h5-8H,2-4H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).