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

C20H19FN4 — CID 2323945

IUPACN'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N/C2CC2)c2ccccc2F)n(-c2ccccc2)n1
InChIInChI=1S/C20H19FN4/c1-14-13-19(25(24-14)16-7-3-2-4-8-16)23-20(22-15-11-12-15)17-9-5-6-10-18(17)21/h2-10,13,15H,11-12H2,1H3,(H,22,23)
InChIKeyUGHZZTUTOVUXBZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.34
Rot. Bonds4

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

N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 2323945) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
PubChem CID2323945
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC NameN'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
SMILESCc1cc(N/C(=N/C2CC2)c2ccccc2F)n(-c2ccccc2)n1
InChIInChI=1S/C20H19FN4/c1-14-13-19(25(24-14)16-7-3-2-4-8-16)23-20(22-15-11-12-15)17-9-5-6-10-18(17)21/h2-10,13,15H,11-12H2,1H3,(H,22,23)
InChIKeyUGHZZTUTOVUXBZ-UHFFFAOYSA-N
XLogP4.34
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.34
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-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide (CID 2323945) is N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is Cc1cc(N/C(=N/C2CC2)c2ccccc2F)n(-c2ccccc2)n1.
What is the InChIKey of N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is UGHZZTUTOVUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c1-14-13-19(25(24-14)16-7-3-2-4-8-16)23-20(22-15-11-12-15)17-9-5-6-10-18(17)21/h2-10,13,15H,11-12H2,1H3,(H,22,23).
What are the key properties of N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide?
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 334.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 2323945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).