N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C23H23N3O — CID 55592536

IUPACN-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(c1ccc(-n2cccn2)cc1)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C23H23N3O/c27-23(18-9-11-19(12-10-18)25-16-4-15-24-25)26(20-13-14-20)22-8-3-6-17-5-1-2-7-21(17)22/h1-2,4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2
InChIKeyWTTFCQXLFYYKMV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.55
Rot. Bonds4

About N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 55592536) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID55592536
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(c1ccc(-n2cccn2)cc1)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C23H23N3O/c27-23(18-9-11-19(12-10-18)25-16-4-15-24-25)26(20-13-14-20)22-8-3-6-17-5-1-2-7-21(17)22/h1-2,4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2
InChIKeyWTTFCQXLFYYKMV-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 55592536) is N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(c1ccc(-n2cccn2)cc1)N(C1CC1)C1CCCc2ccccc21.
What is the InChIKey of N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is WTTFCQXLFYYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(18-9-11-19(12-10-18)25-16-4-15-24-25)26(20-13-14-20)22-8-3-6-17-5-1-2-7-21(17)22/h1-2,4-5,7,9-12,15-16,20,22H,3,6,8,13-14H2.
What are the key properties of N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 357.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 55592536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).