N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

C20H20N4 — CID 2324488

IUPACN'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N/C2CC2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H20N4/c1-15-14-19(24(23-15)18-10-6-3-7-11-18)22-20(21-17-12-13-17)16-8-4-2-5-9-16/h2-11,14,17H,12-13H2,1H3,(H,21,22)
InChIKeyDJHFIUQDNXTTGC-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.20
Rot. Bonds4

About N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide

N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 2324488) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID2324488
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N/C2CC2)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H20N4/c1-15-14-19(24(23-15)18-10-6-3-7-11-18)22-20(21-17-12-13-17)16-8-4-2-5-9-16/h2-11,14,17H,12-13H2,1H3,(H,21,22)
InChIKeyDJHFIUQDNXTTGC-UHFFFAOYSA-N
XLogP4.20
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.20
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'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 2324488) is N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is Cc1cc(N/C(=N/C2CC2)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is DJHFIUQDNXTTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15-14-19(24(23-15)18-10-6-3-7-11-18)22-20(21-17-12-13-17)16-8-4-2-5-9-16/h2-11,14,17H,12-13H2,1H3,(H,21,22).
What are the key properties of N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 316.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 2324488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).