N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

C17H23N5 — CID 75534572

IUPACN'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCc1nn(-c2ccccc2)c(C)c1C/N=C(\N)N1CCCC1
InChIInChI=1S/C17H23N5/c1-13-16(12-19-17(18)21-10-6-7-11-21)14(2)22(20-13)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyGOYJQGAXHOYENR-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.40
Rot. Bonds3

About N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide

N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 75534572) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID75534572
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCc1nn(-c2ccccc2)c(C)c1C/N=C(\N)N1CCCC1
InChIInChI=1S/C17H23N5/c1-13-16(12-19-17(18)21-10-6-7-11-21)14(2)22(20-13)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyGOYJQGAXHOYENR-UHFFFAOYSA-N
XLogP2.40
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (CID 75534572) is N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is Cc1nn(-c2ccccc2)c(C)c1C/N=C(\N)N1CCCC1.
What is the InChIKey of N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is GOYJQGAXHOYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-16(12-19-17(18)21-10-6-7-11-21)14(2)22(20-13)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 297.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 75534572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).