N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C21H26FN3O — CID 71124341

IUPACN-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c2c(c1)C(N(C(=O)c1c(C)nn(C)c1F)C1CC1)CCC2
InChIInChI=1S/C21H26FN3O/c1-12-10-13(2)16-6-5-7-18(17(16)11-12)25(15-8-9-15)21(26)19-14(3)23-24(4)20(19)22/h10-11,15,18H,5-9H2,1-4H3
InChIKeyAGSCTCVFOURUKL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.17
Rot. Bonds3

About N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 71124341) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID71124341
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c2c(c1)C(N(C(=O)c1c(C)nn(C)c1F)C1CC1)CCC2
InChIInChI=1S/C21H26FN3O/c1-12-10-13(2)16-6-5-7-18(17(16)11-12)25(15-8-9-15)21(26)19-14(3)23-24(4)20(19)22/h10-11,15,18H,5-9H2,1-4H3
InChIKeyAGSCTCVFOURUKL-UHFFFAOYSA-N
XLogP4.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 71124341) is N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(C)c2c(c1)C(N(C(=O)c1c(C)nn(C)c1F)C1CC1)CCC2.
What is the InChIKey of N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AGSCTCVFOURUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-12-10-13(2)16-6-5-7-18(17(16)11-12)25(15-8-9-15)21(26)19-14(3)23-24(4)20(19)22/h10-11,15,18H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 71124341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).