N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide

C18H19N5O — CID 166269576

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCc1cnc2n1CCC2
InChIInChI=1S/C18H19N5O/c1-22-16(10-15(21-22)13-6-3-2-4-7-13)18(24)20-12-14-11-19-17-8-5-9-23(14)17/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,24)
InChIKeyWOAJATXKCAFOJD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.16
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide

N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 166269576) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID166269576
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCc1cnc2n1CCC2
InChIInChI=1S/C18H19N5O/c1-22-16(10-15(21-22)13-6-3-2-4-7-13)18(24)20-12-14-11-19-17-8-5-9-23(14)17/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,24)
InChIKeyWOAJATXKCAFOJD-UHFFFAOYSA-N
XLogP2.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide (CID 166269576) is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NCc1cnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is WOAJATXKCAFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-16(10-15(21-22)13-6-3-2-4-7-13)18(24)20-12-14-11-19-17-8-5-9-23(14)17/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,24).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 166269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).