N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide

C19H20N4O — CID 95787834

IUPACN-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
SMILESC[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(22-16-8-3-2-4-9-16)14-20-19(24)17-10-5-6-11-18(17)23-13-7-12-21-23/h2-13,15,22H,14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyUDWJAYVWBNGUOT-OAHLLOKOSA-N
MW320.40 g/mol
LogP3.10
Rot. Bonds6

About N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide

N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide (PubChem CID 95787834) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
PubChem CID95787834
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
SMILESC[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(22-16-8-3-2-4-9-16)14-20-19(24)17-10-5-6-11-18(17)23-13-7-12-21-23/h2-13,15,22H,14H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyUDWJAYVWBNGUOT-OAHLLOKOSA-N
XLogP3.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[(2S)-2-anilinopropyl]-4-(triazol-1-yl)benzamide
CID 97082837
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide (CID 95787834) is N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide is C[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1ccccc1.
What is the InChIKey of N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is UDWJAYVWBNGUOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(22-16-8-3-2-4-9-16)14-20-19(24)17-10-5-6-11-18(17)23-13-7-12-21-23/h2-13,15,22H,14H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide?
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 320.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 95787834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).